Vitas-M small molecule compound

1-methyl-N-(pentafluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Catalog ID
STK317373
SMILES O=C(c1cc(nn1C)C(F)(F)F)Nc1c(F)c(F)c(c(c1F)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 C12H5F8N3O MW 359.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H5F8N3O/c1-23-3(2-4(22-23)12(18,19)20)11(24)21-10-8(16)6(14)5(13)7(15)9(10)17/h2H,1H3,(H,21,24)
InChIKey
LHOQTXJPDRUYIC-UHFFFAOYSA-N
Synonyms
129767-69-7
129767697
1methylN(pentafluorophenyl)3(trifluoromethyl)1Hpyrazole5carboxamide
2methylN(23456pentafluorophenyl)5(trifluoromethyl)pyrazole3carboxamide
CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F
InChI=1SC12H5F8N3Oc1233(24(2223)12(1819)20)11(24)21108(16)6(14)5(13)7(15)9(10)17h2H1H3(H2124)
MFCD04047234
ZINC000002767938
ZINC2767938

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Available files

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