Vitas-M small molecule compound
(2E)-3-{2-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
Catalog ID
STK387630
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)Cl)/C(=O)Nc1cccc(c1C)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 C26H22BrClN2O3 MW 525.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrClN2O3/c1-16-5-4-6-23(17(16)2)30-26(31)20(14-29)11-19-12-24(32-3)25(13-22(19)27)33-15-18-7-9-21(28)10-8-18/h4-13H,15H2,1-3H3,(H,30,31)/b20-11+InChIKey
KLYVEFWMWSZUJB-RGVLZGJSSA-NSynonyms
(2E)3(2BROMO4((4CHLOROBENZYL)OXY)5METHOXYPHENYL)2CYANON(23DIMETHYLPHENYL)PROP2ENAMIDE
(2E)N(23DIMETHYLPHENYL)3(2BROMO4((4CHLOROPHENYL)METHOXY)5METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)3(2BROMO4((4CHLOROPHENYL)METHOXY)5METHOXYPHENYL)2CYANON(23DIMETHYLPHENYL)PROP2ENAMIDE
CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)Cl)OC)C#N)C
InChI=1SC26H22BrClN2O3c11654623(17(16)2)3026(31)20(1429)11191224(323)25(1322(19)27)3315187921(28)10818h413H15H213H3(H3031)b2011+
MFCD02067043
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)Cl)C(=O)Nc1cccc(c1C)C
ZINC000004196354
ZINC4196354
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