Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL432522
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)OCC)O)/C1=O)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 C22H19F3N2O5 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O5/c1-3-31-18-12-13(5-10-17(18)28)11-16-19(22(23,24)25)26-27(20(16)29)15-8-6-14(7-9-15)21(30)32-4-2/h5-12,28H,3-4H2,1-2H3/b16-11-InChIKey
PZNWIEQNQDKLSE-WJDWOHSUSA-NSynonyms
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)OCC)O)C1=O)C(F)(F)F
ethyl4((4Z)4(3ethoxy4hydroxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
MFCD03307290
ZINC000027570084
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