Vitas-M small molecule compound
(4E)-4-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK026637
SMILES CCOc1cc(cc(c1OCc1ccccc1Cl)Cl)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C26H22Cl2N2O3 MW 481.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O3/c1-3-32-24-15-18(14-23(28)25(24)33-16-19-9-7-8-12-22(19)27)13-21-17(2)29-30(26(21)31)20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3/b21-13+InChIKey
WOVWGLPNYJSZAX-FYJGNVAPSA-NSynonyms
(4E)4((3CHLORO4((2CHLOROPHENYL)METHOXY)5ETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3CHLORO4((2CHLOROBENZYL)OXY)5ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC4=CC=CC=C4Cl
CCOc1cc(cc(c1OCc1ccccc1Cl)Cl)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC26H22Cl2N2O3c1332241518(1423(28)25(24)3316199781222(19)27)132117(2)2930(26(21)31)20105461120h415H316H212H3b2113+
MFCD02121486
STK026637
ZINC000009113301
ZINC09113301
ZINC9113301
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