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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

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
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

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
4

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
5

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
6

Sulfisoxazol, 99 %, Thermo Scientific Chemicals

CAS: 127-69-5 Fórmula molecular: C11H13N3O3S Peso molecular (g/mol): 267.3 Clave InChI: NHUHCSRWZMLRLA-UHFFFAOYSA-N Sinónimo: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 Nombre IUPAC: 4-amino-N-(3,4-dimetil-1,2-oxazol-5-il)bencenosulfonamida SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

Sinónimo sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
Clave InChI NHUHCSRWZMLRLA-UHFFFAOYSA-N
PubChem CID 5344
Fórmula molecular C11H13N3O3S
CAS 127-69-5
ChEBI CHEBI:102484
Peso molecular (g/mol) 267.3
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Nombre IUPAC 4-amino-N-(3,4-dimetil-1,2-oxazol-5-il)bencenosulfonamida
7

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
8

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
9

Thermo Scientific Chemicals Metronindazol, 99 %

CAS: 443-48-1 Fórmula molecular: C6H9N3O3 Peso molecular (g/mol): 171.16 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) 171.16
Número MDL MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Nombre IUPAC 2-(2-Metil-5-nitroimidazol-1-il)etanol
10

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
11

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
12

1-Aminobenzotriazol, 98 %, Thermo Scientific Chemicals

CAS: 1614-12-6 Fórmula molecular: C6H6N4 Peso molecular (g/mol): 134.14 Número MDL: MFCD00132902 Clave InChI: JCXKHYLLVKZPKE-UHFFFAOYSA-N Sinónimo: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 Nombre IUPAC: benzotriazol-1-amina SMILES: C1=CC=C2C(=C1)N=NN2N

Sinónimo 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
Clave InChI JCXKHYLLVKZPKE-UHFFFAOYSA-N
PubChem CID 1367
Fórmula molecular C6H6N4
CAS 1614-12-6
Peso molecular (g/mol) 134.14
Número MDL MFCD00132902
SMILES C1=CC=C2C(=C1)N=NN2N
Nombre IUPAC benzotriazol-1-amina
13

4-Amino4- H-1,2,4-triazol, 99 %, Thermo Scientific Chemicals

CAS: 584-13-4 Fórmula molecular: C2H4N4 Peso molecular (g/mol): 84.08 Número MDL: MFCD00003099 Clave InChI: FMCUPJKTGNBGEC-UHFFFAOYSA-N Sinónimo: 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole PubChem CID: 11432 Nombre IUPAC: 1,2,4-triazol-4-amina SMILES: C1=NN=CN1N

Sinónimo 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole
Clave InChI FMCUPJKTGNBGEC-UHFFFAOYSA-N
PubChem CID 11432
Fórmula molecular C2H4N4
CAS 584-13-4
Peso molecular (g/mol) 84.08
Número MDL MFCD00003099
SMILES C1=NN=CN1N
Nombre IUPAC 1,2,4-triazol-4-amina
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-Vinilimidazol, 99 %, Thermo Scientific Chemicals

CAS: 1072-63-5 Fórmula molecular: C5H6N2 Peso molecular (g/mol): 94.12 Número MDL: MFCD00005297 Clave InChI: OSSNTDFYBPYIEC-UHFFFAOYSA-N Sinónimo: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

Sinónimo 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
Clave InChI OSSNTDFYBPYIEC-UHFFFAOYSA-N
PubChem CID 66171
Fórmula molecular C5H6N2
CAS 1072-63-5
Peso molecular (g/mol) 94.12
Número MDL MFCD00005297
SMILES C=CN1C=CN=C1