Vitas-M small molecule compound

4-[(E)-(cyclopropylimino)methyl]-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK673328
SMILES [O-][N+](=O)c1ccc(cc1)n1[nH]c(c(c1=O)/C=N/C1CC1)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 C14H11F3N4O3 MW 340.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F3N4O3/c15-14(16,17)12-11(7-18-8-1-2-8)13(22)20(19-12)9-3-5-10(6-4-9)21(23)24/h3-8,19H,1-2H2/b18-7+
InChIKey
BTWSVSVQBFIJNC-CNHKJKLMSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)n1(nH)c(c(c1=O)C=NC1CC1)C(F)(F)F
4((E)(cyclopropylimino)methyl)2(4nitrophenyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
MFCD01240203
ZINC000002490604

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Available files

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