Vitas-M small molecule compound
(4E)-4-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957582
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(cc2)Cl)C)cc(c1OCc1ccccc1)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 C25H20Cl2N2O3 MW 467.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O3/c1-16-21(25(30)29(28-16)20-10-8-19(26)9-11-20)12-18-13-22(27)24(23(14-18)31-2)32-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3/b21-12+InChIKey
MANAQMYGCSNRND-CIAFOILYSA-NSynonyms
(4E)4((3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)2(4CHLOROPHENYL)5METHYLPYRAZOL3ONE
(4E)4(4(benzyloxy)3chloro5methoxybenzylidene)2(4chlorophenyl)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)Cl
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)Cl)C)cc(c1OCc1ccccc1)Cl
InChI=1SC25H20Cl2N2O3c11621(25(30)29(2816)2010819(26)91120)12181322(27)24(23(1418)312)3215176435717h314H15H212H3b2112+
MFCD01466216
ZINC000100319837
ZINC100319837
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