Vitas-M small molecule compound
(4E)-4-{2-[(2,4-dichlorobenzyl)oxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK019247
SMILES COc1ccc(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 C25H20Cl2N2O3 MW 467.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O3/c1-16-22(25(30)29(28-16)20-6-4-3-5-7-20)13-18-12-21(31-2)10-11-24(18)32-15-17-8-9-19(26)14-23(17)27/h3-14H,15H2,1-2H3/b22-13+InChIKey
IBQYMCIRGORBEW-LPYMAVHISA-NSynonyms
(4E)4((2((24DICHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(2((24DICHLOROBENZYL)OXY)5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)OC)OCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCc1ccc(cc1Cl)Cl
InChI=1SC25H20Cl2N2O3c11622(25(30)29(2816)206435720)13181221(312)101124(18)3215178919(26)1423(17)27h314H15H212H3b2213+
MFCD05975694
STK019247
ZINC000101402015
ZINC101402015
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