Vitas-M small molecule compound
(4Z)-4-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK097635
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1ccc(c(c1)C)Cl)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 C27H24Cl2N2O4 MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4/c1-17-13-21(9-10-23(17)28)34-11-12-35-26-24(29)15-19(16-25(26)33-3)14-22-18(2)30-31(27(22)32)20-7-5-4-6-8-20/h4-10,13-16H,11-12H2,1-3H3/b22-14-InChIKey
FQWCIGRTVWVPOG-HMAPJEAMSA-NSynonyms
(4Z)4((3chloro4(2(4chloro3methylphenoxy)ethoxy)5methoxyphenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(3CHLORO4(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=CC(=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC)Cl
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1ccc(c(c1)C)Cl)Cl
InChI=1SC27H24Cl2N2O4c1171321(91023(17)28)341112352624(29)1519(1625(26)333)142218(2)3031(27(22)32)207546820h4101316H1112H213H3b2214
MFCD08672727
STK097635
ZINC000013895839
ZINC13895839
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