Vitas-M small molecule compound

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

Catalog ID
STK965276
SMILES CC(Cn1c(S)nnc1Cn1nc(cc1C)C(F)(F)F)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 C12H16F3N5S MW 319.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16F3N5S/c1-7(2)5-19-10(16-17-11(19)21)6-20-8(3)4-9(18-20)12(13,14)15/h4,7H,5-6H2,1-3H3,(H,17,21)
InChIKey
NRAMVPKRHQRASC-UHFFFAOYSA-N
Synonyms
957354-43-7
4(2METHYLPROPYL)3((5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)METHYL)1H124TRIAZOLE5THIONE
4(2methylpropyl)5((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4H124triazole3thiol
4ISOBUTYL5((5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)METHYL)4H124TRIAZOL3YLHYDROSULFIDE
957354437
CC1=CC(=NN1CC2=NNC(=S)N2CC(C)C)C(F)(F)F
InChI=1SC12H16F3N5Sc17(2)51910(161711(19)21)6208(3)49(1820)12(1314)15h47H56H213H3(H1721)
MFCD04048239
ZINC000006556608
ZINC06556608
ZINC6556608

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Available files

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