Vitas-M small molecule compound
ethyl (2E)-3-{3-bromo-4-[(4-cyanobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STK110988
SMILES CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)C#N)/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 C21H17BrN2O4 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O4/c1-3-27-21(25)17(12-24)8-16-9-18(22)20(19(10-16)26-2)28-13-15-6-4-14(11-23)5-7-15/h4-10H,3,13H2,1-2H3/b17-8+InChIKey
VZVUSOLNYMONRP-CAOOACKPSA-NSynonyms
CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C#N)OC)C#N
CCOC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1)C#N)C#N
ETHYL(2E)3(3BROMO4((4CYANOBENZYL)OXY)5METHOXYPHENYL)2CYANOPROP2ENOATE
ETHYL(E)3(3BROMO4((4CYANOPHENYL)METHOXY)5METHOXYPHENYL)2CYANOPROP2ENOATE
InChI=1SC21H17BrN2O4c132721(25)17(1224)816918(22)20(19(1016)262)2813156414(1123)5715h410H313H212H3b178+
MFCD08671351
ZINC000001411011
ZINC01411011
ZINC1411011
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