Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl 2,4-dichlorobenzoate
Catalog ID
STK473394
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(cc1Cl)Cl)/C(=O)Nc1ccc(c(c1)C)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 C26H20Cl2N2O4 MW 495.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N2O4/c1-15-4-7-20(10-16(15)2)30-25(31)18(14-29)11-17-5-9-23(24(12-17)33-3)34-26(32)21-8-6-19(27)13-22(21)28/h4-13H,1-3H3,(H,30,31)/b18-11+InChIKey
LNFCRPRLWQUBNV-WOJGMQOQSA-NSynonyms
(4((E)2cyano3(34dimethylanilino)3oxoprop1enyl)2methoxyphenyl)24dichlorobenzoate
4((1E)2cyano3((34dimethylphenyl)amino)3oxoprop1en1yl)2methoxyphenyl24dichlorobenzoate
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OC)C#N)C
InChI=1SC26H20Cl2N2O4c1154720(1016(15)2)3025(31)18(1429)11175923(24(1217)333)3426(32)218619(27)1322(21)28h413H13H3(H3031)b1811+
MFCD02899937
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1ccc(c(c1)C)C
ZINC000020394650
ZINC20394650
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