Vitas-M small molecule compound
4-[(4Z)-4-(3,4-diethoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL432559
SMILES CCOc1cc(ccc1OCC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=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 C22H19F3N2O5 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O5/c1-3-31-17-10-5-13(12-18(17)32-4-2)11-16-19(22(23,24)25)26-27(20(16)28)15-8-6-14(7-9-15)21(29)30/h5-12H,3-4H2,1-2H3,(H,29,30)/b16-11-InChIKey
GVEXKTVEFKRIMY-WJDWOHSUSA-NSynonyms
4((4Z)4((34DIETHOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
4((4Z)4(34diethoxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O
InChI=1SC22H19F3N2O5c13311710513(1218(17)3242)111619(22(2324)25)2627(20(16)28)158614(7915)21(29)30h512H34H212H3(H2930)b1611
MFCD03307347
ZINC000032099627
ZINC32099627
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