Vitas-M small molecule compound
(2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-2-cyano-N-(3-cyanothiophen-2-yl)prop-2-enamide
Catalog ID
STK472685
SMILES CCOc1cc(/C=C(/C(=O)Nc2sccc2C#N)\C#N)c(cc1OC(C)C)Br
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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 C20H18BrN3O3S MW 460.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O3S/c1-4-26-17-8-14(16(21)9-18(17)27-12(2)3)7-15(11-23)19(25)24-20-13(10-22)5-6-28-20/h5-9,12H,4H2,1-3H3,(H,24,25)/b15-7+InChIKey
OACMXPKREUFJSB-VIZOYTHASA-NSynonyms
(2E)3(2BROMO5ETHOXY4(METHYLETHOXY)PHENYL)2CYANON(3CYANO(2THIENYL))PROP2ENAMIDE
(2E)3(2bromo5ethoxy4(propan2yloxy)phenyl)2cyanoN(3cyanothiophen2yl)prop2enamide
(E)3(2bromo5ethoxy4propan2yloxyphenyl)2cyanoN(3cyanothiophen2yl)prop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)Br)OC(C)C
CCOc1cc(C=C(C(=O)Nc2sccc2C#N)C#N)c(cc1OC(C)C)Br
InChI=1SC20H18BrN3O3Sc142617814(16(21)918(17)2712(2)3)715(1123)19(25)242013(1022)562820h5912H4H213H3(H2425)b157+
MFCD07093494
ZINC000020175485
ZINC20175485
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