Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL431949
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cc(Br)c(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 C22H18BrF3N2O5 MW 527.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrF3N2O5/c1-3-32-17-11-12(10-16(23)18(17)29)9-15-19(22(24,25)26)27-28(20(15)30)14-7-5-13(6-8-14)21(31)33-4-2/h5-11,29H,3-4H2,1-2H3/b15-9-InChIKey
FGNNRNPHUUBQSR-DHDCSXOGSA-NSynonyms
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2cc(Br)c(c(c2)OCC)O)C1=O)C(F)(F)F
ethyl4((4Z)4(3bromo5ethoxy4hydroxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
MFCD02908058
ZINC000100165268
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