Vitas-M small molecule compound
(2E)-3-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Catalog ID
STK472691
SMILES CCOc1cc(Br)c(cc1OC)/C=C(/C(=O)Nc1ccc2c(c1)OCCO2)\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 C21H19BrN2O5 MW 459.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O5/c1-3-27-20-11-16(22)13(9-18(20)26-2)8-14(12-23)21(25)24-15-4-5-17-19(10-15)29-7-6-28-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,24,25)/b14-8+InChIKey
HEQOSGWVROPANW-RIYZIHGNSA-NSynonyms
(2E)3(2bromo4ethoxy5methoxyphenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)3(2BROMO4ETHOXY5METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)3(2bromo4ethoxy5methoxyphenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
CCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC
CCOc1cc(Br)c(cc1OC)C=C(C(=O)Nc1ccc2c(c1)OCCO2)C#N
InChI=1SC21H19BrN2O5c1327201116(22)13(918(20)262)814(1223)21(25)2415451719(1015)29762817h45811H367H212H3(H2425)b148+
MFCD07092839
ZINC000020175493
ZINC20175493
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