Vitas-M small molecule compound
5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306543
SMILES Cn1nc(c(c1)n1c(S)nnc1Cn1nc(c(c1C)Cl)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 C13H13ClF3N7S MW 391.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClF3N7S/c1-6-8(4-22(3)20-6)24-9(18-19-12(24)25)5-23-7(2)10(14)11(21-23)13(15,16)17/h4H,5H2,1-3H3,(H,19,25)InChIKey
YCNDZNFOGXKGNU-UHFFFAOYSA-NSynonyms
1005654-17-01005654170
3((4CHLORO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)METHYL)4(13DIMETHYLPYRAZOL4YL)1H124TRIAZOLE5THIONE
5((4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4(13dimethyl1Hpyrazol4yl)4H124triazole3thiol
CC1=C(C(=NN1CC2=NNC(=S)N2C3=CN(N=C3C)C)C(F)(F)F)Cl
InChI=1SC13H13ClF3N7Sc168(422(3)206)249(181912(24)25)5237(2)10(14)11(2123)13(1516)17h4H5H213H3(H1925)
MFCD04046814
ZINC000008548544
ZINC8548544
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