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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 (149)
Isoxazoles (7)
Oxadiazoles (2)
Pyrazoles (1)
Thiadiazoles (8)
Thiazoles (26)
Triazoles (33)

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1 – 15 of 82 results
1

S-Gboxin, MedChemExpress

MedChemExpress S-Gboxin, a functional analogue of Gboxin, inhibits growth of mouse and human glioblastoma (GBM) with an IC50 of 470 nM. Antitumour activity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 600.45
Color White
Physical Form Solid
Chemical Name or Material S-Gboxin
Grade Research
SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(CN2C(C=CC=C3)=C3[N+](C)=C2C4=CC(C(F)(F)F)=CC=C4)=O.[I-]
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.3%
CAS 2101317-21-7
Solubility Information DMSO : 93.33 mg/mL (155.43 mM; Need ultrasonic) ∣H2O : 1 mg/mL (1.67 mM; ultrasonic and warming and heat to 67°C)
Purity Grade Notes Research
Recommended Storage -20°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life -20°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C27H32F3IN2O2
Formula Weight 600.45
2

Tipifarnib (S enantiomer), MedChemExpress

MedChemExpress Tipifarnib S enantiomer is the S-enantiomer of Tipifarnib. Tipifarnib is a potent and specific farnesyltransferase (FTase) inhibitor with IC50 of 0.6 nM. Tipifarnib S enantiomer is the less active isomer.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 489.4
Color White
Physical Form Solid
Chemical Name or Material Tipifarnib (S enantiomer)
Grade Research
SMILES O=C1N(C)C2=C(C=C([C@](C3=CC=C(Cl)C=C3)(N)C4=CN=CN4C)C=C2)C(C5=CC=CC(Cl)=C5)=C1
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.92%
CAS 192185-71-0
Solubility Information DMSO : 25 mg/mL (51.08 mM; Need ultrasonic)
Synonym IND-58359 S enantiomer (S)-(-)-R-115777
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C27H22Cl2N4O
Formula Weight 489.4
3

(S)-Purvalanol B, MedChemExpress

MedChemExpress (S)-Purvalanol B is the S enantiomer of Purvalanol B. Purvalanol B is a cyclin-dependent kinase inhibitor.

ENCOMPASS_PREFERRED
4

1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 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 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

EDGE
PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 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
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
6

3,5-Diamino-1,2,4-triazole, 98%

CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.097 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N

PubChem CID 15078
CAS 1455-77-2
Molecular Weight (g/mol) 99.097
ChEBI CHEBI:75425
MDL Number MFCD00005233
SMILES C1(=NC(=NN1)N)N
Synonym guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine
IUPAC Name 1H-1,2,4-triazole-3,5-diamine
InChI Key PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Molecular Formula C2H5N5
7

3,5-Diamino-1,2,4-triazole, 98%

CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N

PubChem CID 15078
CAS 1455-77-2
Molecular Weight (g/mol) 99.09
ChEBI CHEBI:75425
MDL Number MFCD00005233
SMILES C1(=NC(=NN1)N)N
Synonym guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine
IUPAC Name 1H-1,2,4-triazole-3,5-diamine
InChI Key PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Molecular Formula C2H5N5
8

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride, 97+%, Thermo Scientific™

CAS: 519056-67-8 Molecular Formula: C5H4ClF3N2O2S Molecular Weight (g/mol): 248.604 InChI Key: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl

PubChem CID 2794561
CAS 519056-67-8
Molecular Weight (g/mol) 248.604
SMILES CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
Synonym 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl
IUPAC Name 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
InChI Key HJFWSNIHZZKYIK-UHFFFAOYSA-N
Molecular Formula C5H4ClF3N2O2S
9

1,2,4-Triazolo[4,3-a]pyridine-3-thiol, 96%

CAS: 6952-68-7 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.19 MDL Number: MFCD03783345 InChI Key: ZQMDNIPQCWNIMG-UHFFFAOYSA-N Synonym: 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol PubChem CID: 676422 IUPAC Name: 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione SMILES: S=C1NN=C2C=CC=CN12

PubChem CID 676422
CAS 6952-68-7
Molecular Weight (g/mol) 151.19
MDL Number MFCD03783345
SMILES S=C1NN=C2C=CC=CN12
Synonym 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol
IUPAC Name 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
InChI Key ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Molecular Formula C6H5N3S
10

3-Mercapto-1,2,4-triazole, 98%

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 SMILES: S=C1NNC=N1

PubChem CID 2723802
CAS 3179-31-5
Molecular Weight (g/mol) 101.13
MDL Number MFCD00005229
SMILES S=C1NNC=N1
Synonym 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
InChI Key AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula C2H3N3S
11

7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine, 98%

CAS: 2503-56-2 Molecular Formula: C6H6N4O MDL Number: MFCD00005555 InChI Key: INVVMIXYILXINW-UHFFFAOYSA-N Synonym: 5-methyl-1,2,4 triazolo 1,5-a pyrimidin-7-ol,7-hydroxy-5-methyl-1,3,4-triazaindolizine,methyl hydroxytriazaindolizine,1,2,4 triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-7-hydroxy-1,3,4-triazaindolizine,5-methyl-1h-1,2,4 triazolo 1,5-a pyrimidin-7-one,5-methyl-s-triazolo 1,5-a pyrimidin-7-ol,s-triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-1,2,4-triazolo 1,5-a pyrimidin-7-ol,5-methyl 1,2,4 triazolo 1,5-a pyrimidin-7-ol PubChem CID: 75629

PubChem CID 75629
CAS 2503-56-2
MDL Number MFCD00005555
Synonym 5-methyl-1,2,4 triazolo 1,5-a pyrimidin-7-ol,7-hydroxy-5-methyl-1,3,4-triazaindolizine,methyl hydroxytriazaindolizine,1,2,4 triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-7-hydroxy-1,3,4-triazaindolizine,5-methyl-1h-1,2,4 triazolo 1,5-a pyrimidin-7-one,5-methyl-s-triazolo 1,5-a pyrimidin-7-ol,s-triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-1,2,4-triazolo 1,5-a pyrimidin-7-ol,5-methyl 1,2,4 triazolo 1,5-a pyrimidin-7-ol
InChI Key INVVMIXYILXINW-UHFFFAOYSA-N
Molecular Formula C6H6N4O
12

3-methyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O

PubChem CID 4589692
CAS 17153-20-7
Molecular Weight (g/mol) 127.099
SMILES CC1=NOC=C1C(=O)O
Synonym 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
IUPAC Name 3-methyl-1,2-oxazole-4-carboxylic acid
InChI Key YBLSBWHFPXDRHC-UHFFFAOYSA-N
Molecular Formula C5H5NO3
14

5-Amino-4H-1,2,4-triazole-3-thiol, tech., Thermo Scientific™

CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione SMILES: NC1=NC(=S)NN1

PubChem CID 2723869
CAS 16691-43-3
Molecular Weight (g/mol) 116.14
MDL Number MFCD00005231
SMILES NC1=NC(=S)NN1
Synonym 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z
IUPAC Name 5-amino-1,2-dihydro-1,2,4-triazole-3-thione
InChI Key WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula C2H4N4S
15

2,5-Dimercapto-1,3,4-thiadiazole, 97% (dry wt.), water <3%

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3