Vitas-M small molecule compound
(4Z)-4-[4-(benzyloxy)-3-methoxybenzylidene]-2-(4-chlorophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK219811
SMILES COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl
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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 C25H18ClF3N2O3 MW 486.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClF3N2O3/c1-33-22-14-17(7-12-21(22)34-15-16-5-3-2-4-6-16)13-20-23(25(27,28)29)30-31(24(20)32)19-10-8-18(26)9-11-19/h2-14H,15H2,1H3/b20-13-InChIKey
VTQKSCSJRRYGQN-MOSHPQCFSA-NSynonyms
(4Z)2(4CHLOROPHENYL)4((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(4Z)4(4(BENZYLOXY)3METHOXYBENZYLIDENE)2(4CHLOROPHENYL)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)OCC4=CC=CC=C4
COc1cc(ccc1OCc1ccccc1)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl
InChI=1SC25H18ClF3N2O3c133221417(71221(22)3415165324616)132023(25(2728)29)3031(24(20)32)1910818(26)91119h214H15H21H3b2013
MFCD02908117
ZINC000002946740
ZINC02946740
ZINC2946740
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