Vitas-M small molecule compound
(4E)-4-{2-[(2,4-dichlorobenzyl)oxy]-5-methylbenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK026429
SMILES Cc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCc1ccc(cc1Cl)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 C25H20Cl2N2O2 MW 451.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O2/c1-16-8-11-24(31-15-18-9-10-20(26)14-23(18)27)19(12-16)13-22-17(2)28-29(25(22)30)21-6-4-3-5-7-21/h3-14H,15H2,1-2H3/b22-13+InChIKey
JSWFRCJBIVCIKM-LPYMAVHISA-NSynonyms
(4E)4((2((24DICHLOROPHENYL)METHOXY)5METHYLPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(2((24DICHLOROBENZYL)OXY)5METHYLBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)Cl)Cl)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
Cc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCc1ccc(cc1Cl)Cl
InChI=1SC25H20Cl2N2O2c11681124(31151891020(26)1423(18)27)19(1216)132217(2)2829(25(22)30)216435721h314H15H212H3b2213+
MFCD05975693
STK026429
ZINC000013940649
ZINC13940649
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