Vitas-M small molecule compound

1-ethyl-4-nitro-N-(pentafluorophenyl)-1H-pyrazole-5-carboxamide

Catalog ID
STK316096
SMILES CCn1ncc(c1C(=O)Nc1c(F)c(F)c(c(c1F)F)F)[N+](=O)[O-]

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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 C12H7F5N4O3 MW 350.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7F5N4O3/c1-2-20-11(4(3-18-20)21(23)24)12(22)19-10-8(16)6(14)5(13)7(15)9(10)17/h3H,2H2,1H3,(H,19,22)
InChIKey
DDOJZLRGVSACQG-UHFFFAOYSA-N
Synonyms
491828-95-6
1ethyl4nitroN(pentafluorophenyl)1Hpyrazole5carboxamide
2ethyl4nitroN(23456pentafluorophenyl)pyrazole3carboxamide
491828956
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F
CCn1ncc(c1C(=O)Nc1c(F)c(F)c(c(c1F)F)F)(N+)(=O)(O)
InChI=1SC12H7F5N4O3c122011(4(31820)21(23)24)12(22)19108(16)6(14)5(13)7(15)9(10)17h3H2H21H3(H1922)
MFCD03071374
ZINC000002091166
ZINC02091166
ZINC2091166

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Available files

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