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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

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
2

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
3

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
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

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
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

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
9

Sal de potasio de Raltegravir, Thermo Scientific Chemicals

CAS: 871038-72-1 Fórmula molecular: C20H20FKN6O5 Peso molecular (g/mol): 482.51 Clave InChI: IFUKBHBISRAZTF-UHFFFAOYSA-M Sinónimo: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 Nombre IUPAC: potasio;4-[(4-fluorofenil)metilcarbamoil]-1-metil-2-[2-[(5-metil-1,3,4-oxadiazol-2-carbonil)amino]propan-2-il]-6-oxopirimidin-5-olato SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

Sinónimo raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide
Clave InChI IFUKBHBISRAZTF-UHFFFAOYSA-M
PubChem CID 23668479
Fórmula molecular C20H20FKN6O5
CAS 871038-72-1
Peso molecular (g/mol) 482.51
SMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
Nombre IUPAC potasio;4-[(4-fluorofenil)metilcarbamoil]-1-metil-2-[2-[(5-metil-1,3,4-oxadiazol-2-carbonil)amino]propan-2-il]-6-oxopirimidin-5-olato
10

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
11

Ganciclovir 98 %, Thermo Scientific Chemicals

CAS: 82410-32-0 Fórmula molecular: C9H13N5O4 Peso molecular (g/mol): 255.23 Clave InChI: IRSCQMHQWWYFCW-UHFFFAOYSA-N Sinónimo: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 Nombre IUPAC: 2-amino-9-(1,3-dihidroxipropan-2-iloximetil)-3H-purin-6-ona SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Sinónimo ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
Clave InChI IRSCQMHQWWYFCW-UHFFFAOYSA-N
PubChem CID 3454
Fórmula molecular C9H13N5O4
CAS 82410-32-0
ChEBI CHEBI:465284
Peso molecular (g/mol) 255.23
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Nombre IUPAC 2-amino-9-(1,3-dihidroxipropan-2-iloximetil)-3H-purin-6-ona
12

3-Amino1- H-1,2,4-triazol, 95 %, Thermo Scientific Chemicals

CAS: 61-82-5 Fórmula molecular: C2H4N4 Peso molecular (g/mol): 84.08 Número MDL: MFCD00005230,MFCD00053362 Clave InChI: KLSJWNVTNUYHDU-UHFFFAOYSA-N Sinónimo: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 Nombre IUPAC: 1H-1,2,4-triazol-5-amina SMILES: NC1=NC=NN1

Sinónimo 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
Clave InChI KLSJWNVTNUYHDU-UHFFFAOYSA-N
PubChem CID 1639
Fórmula molecular C2H4N4
CAS 61-82-5
ChEBI CHEBI:40036
Peso molecular (g/mol) 84.08
Número MDL MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Nombre IUPAC 1H-1,2,4-triazol-5-amina
13

Cloruro de 1-etil-3-metilimidazolio, 97 %, Thermo Scientific Chemicals

CAS: 65039-09-0 Fórmula molecular: C6H11ClN2 Peso molecular (g/mol): 146.62 Número MDL: MFCD00074843 Clave InChI: BMQZYMYBQZGEEY-UHFFFAOYSA-M Sinónimo: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 Nombre IUPAC: 1-etil-3-metilimidazol-3-io;cloruro SMILES: [Cl-].CCN1C=C[N+](C)=C1

Sinónimo 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
Clave InChI BMQZYMYBQZGEEY-UHFFFAOYSA-M
PubChem CID 2734160
Fórmula molecular C6H11ClN2
CAS 65039-09-0
ChEBI CHEBI:61327
Peso molecular (g/mol) 146.62
Número MDL MFCD00074843
SMILES [Cl-].CCN1C=C[N+](C)=C1
Nombre IUPAC 1-etil-3-metilimidazol-3-io;cloruro
14

Thermo Scientific Chemicals Tinidazol

CAS: 19387-91-8 Fórmula molecular: C8H13N3O4S Peso molecular (g/mol): 247.27 Número MDL: MFCD00057217 Clave InChI: HJLSLZFTEKNLFI-UHFFFAOYSA-N Nombre IUPAC: 1-[2-(etanosulfonil)etil]-2-metil-5-nitro-1H-imidazol SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

Clave InChI HJLSLZFTEKNLFI-UHFFFAOYSA-N
Fórmula molecular C8H13N3O4S
CAS 19387-91-8
Peso molecular (g/mol) 247.27
Número MDL MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
Nombre IUPAC 1-[2-(etanosulfonil)etil]-2-metil-5-nitro-1H-imidazol