Vitas-M small molecule compound
(2E)-3-{3-bromo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N-(4-methylphenyl)prop-2-enamide
Catalog ID
STK183610
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)OCc1cccc(c1)C)/C(=O)Nc1ccc(cc1)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 C26H23BrN2O3 MW 491.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O3/c1-17-7-9-22(10-8-17)29-26(30)21(15-28)12-20-13-23(27)25(24(14-20)31-3)32-16-19-6-4-5-18(2)11-19/h4-14H,16H2,1-3H3,(H,29,30)/b21-12+InChIKey
LRBCRSYKCMXXQI-CIAFOILYSA-NSynonyms
(2E)3(3BROMO5METHOXY4((3METHYLBENZYL)OXY)PHENYL)2CYANON(4METHYLPHENYL)PROP2ENAMIDE
(E)3(3bromo5methoxy4((3methylphenyl)methoxy)phenyl)2cyanoN(4methylphenyl)prop2enamide
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC(=C3)C)OC)C#N
InChI=1SC26H23BrN2O3c1177922(10817)2926(30)21(1528)12201323(27)25(24(1420)313)32161964518(2)1119h414H16H213H3(H2930)b2112+
MFCD04308441
N#CC(=Cc1cc(Br)c(c(c1)OC)OCc1cccc(c1)C)C(=O)Nc1ccc(cc1)C
ZINC000009262402
ZINC09262402
ZINC9262402
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