Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(4-ethoxy-3-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL431346
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)OC)OCC)/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 C23H21F3N2O5 MW 462.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N2O5/c1-4-32-18-11-6-14(13-19(18)31-3)12-17-20(23(24,25)26)27-28(21(17)29)16-9-7-15(8-10-16)22(30)33-5-2/h6-13H,4-5H2,1-3H3/b17-12-InChIKey
XXOFAZZPMUZOSK-ATVHPVEESA-NSynonyms
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)OC)OCC)C1=O)C(F)(F)F
CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)OC
ETHYL4((4Z)4((4ETHOXY3METHOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
ethyl4((4Z)4(4ethoxy3methoxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
InChI=1SC23H21F3N2O5c14321811614(1319(18)313)121720(23(2425)26)2728(21(17)29)169715(81016)22(30)3352h613H45H213H3b1712
MFCD03182068
ZINC000032099561
ZINC32099561
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