Vitas-M small molecule compound
ethyl (2E)-3-{4-[(4-bromobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}-2-cyanoprop-2-enoate
Catalog ID
STK130607
SMILES CCOC(=O)/C(=C/c1cc(OC)c(c(c1)CC=C)OCc1ccc(cc1)Br)/C#N
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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 C23H22BrNO4 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrNO4/c1-4-6-18-11-17(12-19(14-25)23(26)28-5-2)13-21(27-3)22(18)29-15-16-7-9-20(24)10-8-16/h4,7-13H,1,5-6,15H2,2-3H3/b19-12+InChIKey
FIDWBJLUDPVRHH-XDHOZWIPSA-NSynonyms
CCOC(=O)C(=CC1=CC(=C(C(=C1)OC)OCC2=CC=C(C=C2)Br)CC=C)C#N
CCOC(=O)C(=Cc1cc(OC)c(c(c1)CC=C)OCc1ccc(cc1)Br)C#N
ETHYL(2E)3(4((4BROMOBENZYL)OXY)3METHOXY5(PROP2EN1YL)PHENYL)2CYANOPROP2ENOATE
ETHYL(E)3(4((4BROMOPHENYL)METHOXY)3METHOXY5PROP2ENYLPHENYL)2CYANOPROP2ENOATE
InChI=1SC23H22BrNO4c146181117(1219(1425)23(26)2852)1321(273)22(18)2915167920(24)10816h4713H15615H223H3b1912+
MFCD05800786
ZINC000009234456
ZINC09234456
ZINC9234456
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