Vitas-M small molecule compound

4-cyclopropyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306082
SMILES Cc1cc(nn1Cc1nnc(n1C1CC1)S)C(F)(F)F

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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 C11H12F3N5S MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12F3N5S/c1-6-4-8(11(12,13)14)17-18(6)5-9-15-16-10(20)19(9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,16,20)
InChIKey
TYOLREQZEHBZHL-UHFFFAOYSA-N
Synonyms
1005676-74-3
1005676743
4CYCLOPROPYL3((5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)METHYL)1H124TRIAZOLE5THIONE
4cyclopropyl5((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4H124triazole3thiol
CC1=CC(=NN1CC2=NNC(=S)N2C3CC3)C(F)(F)F
InChI=1SC11H12F3N5Sc1648(11(1213)14)1718(6)59151610(20)19(9)7237h47H235H21H3(H1620)
MFCD04046325
ZINC000008549426
ZINC08549426
ZINC8549426

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Available files

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