Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(3,4-dimethoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK742526
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)OC)OC)/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/c1-4-32-21(29)14-6-8-15(9-7-14)27-20(28)16(19(26-27)22(23,24)25)11-13-5-10-17(30-2)18(12-13)31-3/h5-12H,4H2,1-3H3/b16-11-InChIKey
OAKKFECLJAWBPG-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)OC)C(=N2)C(F)(F)F
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)OC)OC)C1=O)C(F)(F)F
ETHYL4((4Z)4((34DIMETHOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
ethyl4((4Z)4(34dimethoxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
InChI=1SC22H19F3N2O5c143221(29)146815(9714)2720(28)16(19(2627)22(2324)25)111351017(302)18(1213)313h512H4H213H3b1611
MFCD03141319
ZINC000017971933
ZINC17971933
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