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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (105)
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1 – 15 of 85 results
1

4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
2

5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, 98%

CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

PubChem CID 17513
CAS 2627-69-2
Molecular Weight (g/mol) 258.23
ChEBI CHEBI:28498
MDL Number MFCD00869751
SMILES NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Synonym acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara
IUPAC Name 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Molecular Formula C9H14N4O5
3

Benzo[d]isoxazol-3-ol, 96%, Thermo Scientific™

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.12
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2
4

5-chlorobenzo[d]isoxazol-3-ol, Thermo Scientific™

CAS: 24603-63-2 Molecular Formula: C7H4ClNO2 Molecular Weight (g/mol): 169.564 InChI Key: WIZWHBRFTCYPDN-UHFFFAOYSA-N Synonym: 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one PubChem CID: 3714169 IUPAC Name: 5-chloro-1,2-benzoxazol-3-one SMILES: C1=CC2=C(C=C1Cl)C(=O)NO2

PubChem CID 3714169
CAS 24603-63-2
Molecular Weight (g/mol) 169.564
SMILES C1=CC2=C(C=C1Cl)C(=O)NO2
Synonym 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one
IUPAC Name 5-chloro-1,2-benzoxazol-3-one
InChI Key WIZWHBRFTCYPDN-UHFFFAOYSA-N
Molecular Formula C7H4ClNO2
5

7-Methylbenzo[d]isoxazol-3-ol, 97%, Thermo Scientific™

CAS: 36238-83-2 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00104669 InChI Key: JUNCQBPTXAQOSA-UHFFFAOYSA-N Synonym: 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one PubChem CID: 2782122 IUPAC Name: 7-methyl-1,2-benzoxazol-3-one SMILES: CC1=CC=CC2=C1ONC2=O

PubChem CID 2782122
CAS 36238-83-2
Molecular Weight (g/mol) 149.149
MDL Number MFCD00104669
SMILES CC1=CC=CC2=C1ONC2=O
Synonym 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one
IUPAC Name 7-methyl-1,2-benzoxazol-3-one
InChI Key JUNCQBPTXAQOSA-UHFFFAOYSA-N
Molecular Formula C8H7NO2
6

Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.122
MDL Number MFCD00125030
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2
7

5-Aminoimidazole-4-carboxamide 1-beta-D-ribofuranoside, 98%, Thermo Scientific Chemicals

CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

PubChem CID 17513
CAS 2627-69-2
Molecular Weight (g/mol) 258.23
ChEBI CHEBI:28498
MDL Number MFCD00869751
SMILES NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Synonym acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara
IUPAC Name 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Molecular Formula C9H14N4O5
8

D-Beta-Imidazole lactic Acid Monohydrate, TRC

CAS: 1246814-96-9 Molecular Formula: C6 H8 N2 O3 . H2 O Molecular Weight (g/mol): 174.15 IUPAC Name: (2R)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid;hydrate SMILES: O.O[C@H](Cc1c[nH]cn1)C(=O)O

CAS 1246814-96-9
Molecular Weight (g/mol) 174.15
SMILES O.O[C@H](Cc1c[nH]cn1)C(=O)O
IUPAC Name (2R)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid;hydrate
Molecular Formula C6 H8 N2 O3 . H2 O
10

Ledipasvir D-tartrate, MedChemExpress

MedChemExpress Ledipasvir D-tartrate is an inhibitor of the hepatitis C virus NS5A, with EC50 values of 34 pM against GT1a and 4 pM against GT1b replicon.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 1039.09
Color Off-White
Physical Form Solid
Chemical Name or Material Ledipasvir D-tartrate
Grade Research
SMILES O=C(OC)N[C@H](C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6N=C([C@H]7N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@]8([H])CC[C@@]7([H])C8)NC6=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=O)C(C)C.O[C@@H]([C@@H](C(O)=O)O)C(O)=O
For Use With (Application) COVID-19-anti-virus
Percent Purity 96.33%
CAS 1502654-87-6
Solubility Information DMSO : ≥ 28 mg/mL (26.95 mM)
Synonym GS-5885 D-tartrate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C53H60F2N8O12
Formula Weight 1039.09
11

2-Aminobenzimidazole, 97+%

CAS: 934-32-7 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005596 InChI Key: JWYUFVNJZUSCSM-UHFFFAOYSA-N Synonym: 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole PubChem CID: 13624 ChEBI: CHEBI:27822 IUPAC Name: 1H-benzimidazol-2-amine SMILES: NC1=NC2=CC=CC=C2N1

EDGE
PubChem CID 13624
CAS 934-32-7
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:27822
MDL Number MFCD00005596
SMILES NC1=NC2=CC=CC=C2N1
Synonym 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole
IUPAC Name 1H-benzimidazol-2-amine
InChI Key JWYUFVNJZUSCSM-UHFFFAOYSA-N
Molecular Formula C7H7N3
12

8-Azahypoxanthine, 98%

CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.10 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine PubChem CID: 75895 IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: O=C1N=CN=C2NNN=C12

PubChem CID 75895
CAS 2683-90-1
Molecular Weight (g/mol) 137.10
MDL Number MFCD00005804
SMILES O=C1N=CN=C2NNN=C12
Synonym 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine
IUPAC Name 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
InChI Key OEEYCNOOAHGFHL-UHFFFAOYSA-N
Molecular Formula C4H3N5O
13

2-Phenylbenzimidazole-5-sulfonic acid, 98%

CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.29 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1

PubChem CID 33919
CAS 27503-81-7
Molecular Weight (g/mol) 274.29
MDL Number MFCD00053007
SMILES OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1
Synonym ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid
IUPAC Name 2-phenyl-3H-benzimidazole-5-sulfonic acid
InChI Key UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula C13H10N2O3S
14

1,2-Benzisoxazol-3(2H)-one, 96%

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.122
MDL Number MFCD00125030
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2