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Azoles

Compuestos orgánicos que constan de moléculas heterocíclicas de cinco elementos que a su vez contienen un átomo de nitrógeno y al menos otro átomo no carbónico como parte del anillo.
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1

Thermo Scientific Chemicals Bromuro de tetrazolio azul de tiazolilo, 98 %

CAS: 298-93-1 Fórmula molecular: C18H16BrN5S Peso molecular (g/mol): 414.33 Número MDL: MFCD00011964,MFCD00066662 Clave InChI: AZKSAVLVSZKNRD-UHFFFAOYSA-M Sinónimo: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 Nombre IUPAC: 2-(3,5-difeniltetrazol-2-io-2-il)-4,5-dimetil-1,3-tiazol; bromuro SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
Sinónimo thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
Clave InChI AZKSAVLVSZKNRD-UHFFFAOYSA-M
PubChem CID 64965
Fórmula molecular C18H16BrN5S
CAS 298-93-1
ChEBI CHEBI:53233
Peso molecular (g/mol) 414.33
Número MDL MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Nombre IUPAC 2-(3,5-difeniltetrazol-2-io-2-il)-4,5-dimetil-1,3-tiazol; bromuro
2

Bromuro de tetrazolio de azul de tiazolilo, 98 %

CAS: 298-93-1 Fórmula molecular: C18H16BrN5S Peso molecular (g/mol): 414.33 Número MDL: MFCD00011964,MFCD00066662 Clave InChI: AZKSAVLVSZKNRD-UHFFFAOYSA-M Sinónimo: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
Sinónimo thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
Clave InChI AZKSAVLVSZKNRD-UHFFFAOYSA-M
PubChem CID 64965
Fórmula molecular C18H16BrN5S
CAS 298-93-1
ChEBI CHEBI:53233
Peso molecular (g/mol) 414.33
Número MDL MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
3

1,2,4-Triazol, 99 %, Thermo Scientific Chemicals

CAS: 288-88-0 Fórmula molecular: C2H3N3 Peso molecular (g/mol): 69.067 Número MDL: MFCD00005228 Clave InChI: NSPMIYGKQJPBQR-UHFFFAOYSA-N Sinónimo: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 Nombre IUPAC: 1H-1,2,4-triazol SMILES: C1=NC=NN1

EDGE
Sinónimo 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
Clave InChI NSPMIYGKQJPBQR-UHFFFAOYSA-N
PubChem CID 9257
Fórmula molecular C2H3N3
CAS 288-88-0
ChEBI CHEBI:35550
Peso molecular (g/mol) 69.067
Número MDL MFCD00005228
SMILES C1=NC=NN1
Nombre IUPAC 1H-1,2,4-triazol
4

Bromuro de 1-n-butil-3-metilimidazolio, 99 %, Thermo Scientific Chemicals

CAS: 85100-77-2 Fórmula molecular: C8H15BrN2 Peso molecular (g/mol): 219.126 Número MDL: MFCD03427611 Clave InChI: KYCQOKLOSUBEJK-UHFFFAOYSA-M Sinónimo: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 Nombre IUPAC: 1-butil-3-metilimidazol-3-io; bromuro SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

EDGE
Sinónimo 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
Clave InChI KYCQOKLOSUBEJK-UHFFFAOYSA-M
PubChem CID 2734236
Fórmula molecular C8H15BrN2
CAS 85100-77-2
Peso molecular (g/mol) 219.126
Número MDL MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Nombre IUPAC 1-butil-3-metilimidazol-3-io; bromuro
5

Bromuro de 1-etil-3-metilimidazolio, + 98 %, Thermo Scientific Chemicals

CAS: 65039-08-9 Fórmula molecular: C6H11BrN2 Peso molecular (g/mol): 191.07 Número MDL: MFCD03427610 Clave InChI: GWQYPLXGJIXMMV-UHFFFAOYSA-M Sinónimo: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 Nombre IUPAC: 1-etil-3-metilimidazol-3-io;bromuro SMILES: [Br-].CCN1C=C[N+](C)=C1

Sinónimo 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
Clave InChI GWQYPLXGJIXMMV-UHFFFAOYSA-M
PubChem CID 2734235
Fórmula molecular C6H11BrN2
CAS 65039-08-9
Peso molecular (g/mol) 191.07
Número MDL MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Nombre IUPAC 1-etil-3-metilimidazol-3-io;bromuro
6

Hidruro de xantano, Thermo Scientific Chemicals

CAS: 6846-35-1 Fórmula molecular: C2H2N2S3 Peso molecular (g/mol): 150.23 Clave InChI: YWZHEXZIISFIDA-UHFFFAOYSA-N Nombre IUPAC: 5-amino-3H-1,2,4-ditiazol-3-tiona SMILES: NC1=NC(=S)SS1

Clave InChI YWZHEXZIISFIDA-UHFFFAOYSA-N
Fórmula molecular C2H2N2S3
CAS 6846-35-1
Peso molecular (g/mol) 150.23
SMILES NC1=NC(=S)SS1
Nombre IUPAC 5-amino-3H-1,2,4-ditiazol-3-tiona
7

1,1'-Carbonildiimidazol, 97 %, Thermo Scientific Chemicals

CAS: 530-62-1 Fórmula molecular: C7H6N4O Peso molecular (g/mol): 162.15 Número MDL: MFCD00005286 Clave InChI: PFKFTWBEEFSNDU-UHFFFAOYSA-N Sinónimo: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

Sinónimo 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Clave InChI PFKFTWBEEFSNDU-UHFFFAOYSA-N
PubChem CID 68263
Fórmula molecular C7H6N4O
CAS 530-62-1
Peso molecular (g/mol) 162.15
Número MDL MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
8

1-Metilimidazol, 99 %, Thermo Scientific Chemicals

CAS: 616-47-7 Fórmula molecular: C4H6N2 Peso molecular (g/mol): 82.11 Número MDL: MFCD00005292 Clave InChI: MCTWTZJPVLRJOU-UHFFFAOYSA-N Sinónimo: 1-metil-1h-imidazol,n-metilimidazol,1h-imidazol,1-metil,imidazol,1-metil,n-metil imidazol,1-metil-imidazol,1-metilimdazol,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 Nombre IUPAC: 1-metilimidazol SMILES: CN1C=CN=C1

Sinónimo 1-metil-1h-imidazol,n-metilimidazol,1h-imidazol,1-metil,imidazol,1-metil,n-metil imidazol,1-metil-imidazol,1-metilimdazol,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
Clave InChI MCTWTZJPVLRJOU-UHFFFAOYSA-N
PubChem CID 1390
Fórmula molecular C4H6N2
CAS 616-47-7
ChEBI CHEBI:113454
Peso molecular (g/mol) 82.11
Número MDL MFCD00005292
SMILES CN1C=CN=C1
Nombre IUPAC 1-metilimidazol
9

1-Metilimidazol, 99 %, Thermo Scientific Chemicals

CAS: 616-47-7 Fórmula molecular: C4H6N2 Peso molecular (g/mol): 82.11 Número MDL: MFCD00005292 Clave InChI: MCTWTZJPVLRJOU-UHFFFAOYSA-N Sinónimo: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

Sinónimo 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
Clave InChI MCTWTZJPVLRJOU-UHFFFAOYSA-N
PubChem CID 1390
Fórmula molecular C4H6N2
CAS 616-47-7
ChEBI CHEBI:113454
Peso molecular (g/mol) 82.11
Número MDL MFCD00005292
SMILES CN1C=CN=C1
10

1H-Benzotriazol, 99 %, Thermo Scientific Chemicals

CAS: 95-14-7 Fórmula molecular: C6H5N3 Peso molecular (g/mol): 119.127 Número MDL: MFCD00005699 Clave InChI: QRUDEWIWKLJBPS-UHFFFAOYSA-N Sinónimo: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 Nombre IUPAC: 2H-benzotriazol SMILES: C1=CC2=NNN=C2C=C1

Sinónimo 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
Clave InChI QRUDEWIWKLJBPS-UHFFFAOYSA-N
PubChem CID 7220
Fórmula molecular C6H5N3
CAS 95-14-7
ChEBI CHEBI:75331
Peso molecular (g/mol) 119.127
Número MDL MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Nombre IUPAC 2H-benzotriazol
11

4-Amino-3-hidrazino-5-mercapto-1,2,4-triazol, 99 +%, Thermo Scientific Chemicals

CAS: 1750-12-5 Fórmula molecular: C2H6N6S Peso molecular (g/mol): 146.172 Número MDL: MFCD00003098 Clave InChI: RDIMQHBOTMWMJA-UHFFFAOYSA-N Sinónimo: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 Nombre IUPAC: 4-amino-3-hidrazinil-1H-1,2,4-triazol-5-tiona SMILES: C1(=S)NN=C(N1N)NN

Sinónimo 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
Clave InChI RDIMQHBOTMWMJA-UHFFFAOYSA-N
PubChem CID 2723946
Fórmula molecular C2H6N6S
CAS 1750-12-5
Peso molecular (g/mol) 146.172
Número MDL MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Nombre IUPAC 4-amino-3-hidrazinil-1H-1,2,4-triazol-5-tiona
12

1H-Benzotriazol, 99 %, Thermo Scientific Chemicals

CAS: 95-14-7 Fórmula molecular: C6H5N3 Peso molecular (g/mol): 119.13 Número MDL: MFCD00005699 Clave InChI: QRUDEWIWKLJBPS-UHFFFAOYSA-N Sinónimo: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 Nombre IUPAC: 2H-benzotriazol SMILES: C1=CC2=NNN=C2C=C1

Sinónimo 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
Clave InChI QRUDEWIWKLJBPS-UHFFFAOYSA-N
PubChem CID 7220
Fórmula molecular C6H5N3
CAS 95-14-7
ChEBI CHEBI:75331
Peso molecular (g/mol) 119.13
Número MDL MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Nombre IUPAC 2H-benzotriazol
13

Metronidazol, 99 %, Thermo Scientific Chemicals

CAS: 443-48-1 Fórmula molecular: C6H9N3O3 Peso molecular (g/mol): 171.156 Número MDL: MFCD00009750 Clave InChI: VAOCPAMSLUNLGC-UHFFFAOYSA-N Sinónimo: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 Nombre IUPAC: 2-(2-Metil-5-nitroimidazol-1-il)etanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

Sinónimo metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
Clave InChI VAOCPAMSLUNLGC-UHFFFAOYSA-N
PubChem CID 4173
Fórmula molecular C6H9N3O3
CAS 443-48-1
ChEBI CHEBI:6909
Peso molecular (g/mol) 171.156
Número MDL MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Nombre IUPAC 2-(2-Metil-5-nitroimidazol-1-il)etanol
14

1,2,4-1H-Triazol, 99,5%

CAS: 288-88-0 Fórmula molecular: C2H3N3 Peso molecular (g/mol): 69.06 Número MDL: MFCD00005228 Clave InChI: NSPMIYGKQJPBQR-UHFFFAOYSA-N Sinónimo: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 Nombre IUPAC: 1H-1,2,4-triazol SMILES: C1=NC=NN1

Sinónimo 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
Clave InChI NSPMIYGKQJPBQR-UHFFFAOYSA-N
PubChem CID 9257
Fórmula molecular C2H3N3
CAS 288-88-0
ChEBI CHEBI:35550
Peso molecular (g/mol) 69.06
Número MDL MFCD00005228
SMILES C1=NC=NN1
Nombre IUPAC 1H-1,2,4-triazol
15

1,1'-Carbonildiimidazol, 97 %, Thermo Scientific Chemicals

CAS: 530-62-1 Fórmula molecular: C7H6N4O Peso molecular (g/mol): 162.15 Número MDL: MFCD00005286 Clave InChI: PFKFTWBEEFSNDU-UHFFFAOYSA-N Sinónimo: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 Nombre IUPAC: di(imidazol-1-il)metanona SMILES: O=C(N1C=CN=C1)N1C=CN=C1

Sinónimo 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Clave InChI PFKFTWBEEFSNDU-UHFFFAOYSA-N
PubChem CID 68263
Fórmula molecular C7H6N4O
CAS 530-62-1
Peso molecular (g/mol) 162.15
Número MDL MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Nombre IUPAC di(imidazol-1-il)metanona