Vitas-M small molecule compound
(4E)-4-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK033679
SMILES CCOc1cc(ccc1OCc1ccc(c(c1)Cl)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/c1-3-32-25-15-18(10-12-24(25)33-16-19-9-11-22(27)23(28)14-19)13-21-17(2)29-30(26(21)31)20-7-5-4-6-8-20/h4-15H,3,16H2,1-2H3/b21-13+InChIKey
DPKFJJFHJOHDOY-FYJGNVAPSA-NSynonyms
(4E)4((4((34DICHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4((34DICHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC(=C(C=C4)Cl)Cl
CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC26H22Cl2N2O3c1332251518(101224(25)33161991122(27)23(28)1419)132117(2)2930(26(21)31)207546820h415H316H212H3b2113+
MFCD02121484
STK033679
ZINC000013941785
ZINC13941785
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