Vitas-M small molecule compound
4-[(4Z)-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL508354
SMILES COc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)C(=O)O)cc(c1O)[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 C19H12F3N3O7 MW 451.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12F3N3O7/c1-32-14-8-9(7-13(15(14)26)25(30)31)6-12-16(19(20,21)22)23-24(17(12)27)11-4-2-10(3-5-11)18(28)29/h2-8,26H,1H3,(H,28,29)/b12-6-InChIKey
FHWNJFXORYYOCG-SDQBBNPISA-NSynonyms
135628142
4((4~(Z))4((4hydroxy3methoxy5nitrophenyl)methylidene)5oxo3(trifluoromethyl)pyrazol1yl)benzoicacid
4((4Z)4(4hydroxy3methoxy5nitrobenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
4(4((3METHOXY5NITRO4OXOCYCLOHEXA25DIEN1YLIDENE)METHYL)3OXO5(TRIFLUOROMETHYL)1HPYRAZOL2YL)BENZOICACID
InChI=1SC19H12F3N3O7c1321489(713(15(14)26)25(30)31)61216(19(2021)22)2324(17(12)27)114210(3511)18(28)29h2826H1H3(H2829)b126
MFCD03307335
ZINC000032099625
ZINC32099625
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