Vitas-M small molecule compound

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK399807
SMILES CC(Cn1c(S)nnc1c1nn(cc1Cl)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C10H14ClN5S MW 271.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H14ClN5S/c1-6(2)4-16-9(12-13-10(16)17)8-7(11)5-15(3)14-8/h5-6H,4H2,1-3H3,(H,13,17)
InChIKey
MGDLTCJXARJPCY-UHFFFAOYSA-N
Synonyms
494791-07-0
3(4CHLORO1METHYLPYRAZOL3YL)4(2METHYLPROPYL)1H124TRIAZOLE5THIONE
494791070
5(4chloro1methyl1Hpyrazol3yl)4(2methylpropyl)4H124triazole3thiol
5(4CHLORO1METHYL1HPYRAZOL3YL)4ISOBUTYL4H124TRIAZOLE3THIOL
CC(C)CN1C(=NNC1=S)C2=NN(C=C2Cl)C
InChI=1SC10H14ClN5Sc16(2)4169(121310(16)17)87(11)515(3)148h56H4H213H3(H1317)
MFCD03075251
ZINC000006159757
ZINC6159757

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.