Vitas-M small molecule compound
(4E)-4-{[5-(3-acetylphenyl)furan-2-yl]methylidene}-2-(3,5-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK393766
SMILES Clc1cc(Cl)cc(c1)N1N=C(/C(=C\c2ccc(o2)c2cccc(c2)C(=O)C)/C1=O)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 C23H16Cl2N2O3 MW 439.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O3/c1-13-21(23(29)27(26-13)19-10-17(24)9-18(25)11-19)12-20-6-7-22(30-20)16-5-3-4-15(8-16)14(2)28/h3-12H,1-2H3/b21-12+InChIKey
IMLXVRWBEDDTIM-CIAFOILYSA-NSynonyms
(4E)4((5(3acetylphenyl)furan2yl)methylidene)2(35dichlorophenyl)5methyl24dihydro3Hpyrazol3one
(4E)4((5(3ACETYLPHENYL)FURAN2YL)METHYLIDENE)2(35DICHLOROPHENYL)5METHYLPYRAZOL3ONE
1ACETYL3(5((1(35DICHLOROPHENYL)3METHYL5OXO(12DIAZOLIN4YLIDENE))METHYL)(2FURYL))BENZENE
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)C)C4=CC(=CC(=C4)Cl)Cl
Clc1cc(Cl)cc(c1)N1N=C(C(=Cc2ccc(o2)c2cccc(c2)C(=O)C)C1=O)C
InChI=1SC23H16Cl2N2O3c11321(23(29)27(2613)191017(24)918(25)1119)12206722(3020)1653415(816)14(2)28h312H12H3b2112+
MFCD02907066
ZINC000033334137
ZINC33334137
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