Vitas-M small molecule compound
(4Z)-4-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL381987
SMILES COc1cc(ccc1OCc1ccc(cc1)F)/C=C\1/C(=NN(C1=O)c1ccc(cc1)F)C
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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 C25H20F2N2O3 MW 434.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F2N2O3/c1-16-22(25(30)29(28-16)21-10-8-20(27)9-11-21)13-18-5-12-23(24(14-18)31-2)32-15-17-3-6-19(26)7-4-17/h3-14H,15H2,1-2H3/b22-13-InChIKey
VJMWCJVZKVVUKP-XKZIYDEJSA-NSynonyms
(4Z)2(4FLUOROPHENYL)4((4((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)4(4((4fluorobenzyl)oxy)3methoxybenzylidene)2(4fluorophenyl)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C4=CC=C(C=C4)F
COc1cc(ccc1OCc1ccc(cc1)F)C=C1C(=NN(C1=O)c1ccc(cc1)F)C
InChI=1SC25H20F2N2O3c11622(25(30)29(2816)2110820(27)91121)131851223(24(1418)312)3215173619(26)7417h314H15H212H3b2213
MFCD28951676
ZINC000016247844
ZINC16247844
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