Vitas-M small molecule compound
ethyl (2Z)-3-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-2-cyanoprop-2-enoate
Catalog ID
STK201829
SMILES CCOC(=O)/C(=C\c1cc(I)c(c(c1)OCC)OCc1ccccc1)/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 C21H20INO4 MW 477.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20INO4/c1-3-25-19-12-16(10-17(13-23)21(24)26-4-2)11-18(22)20(19)27-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3/b17-10-InChIKey
DDCCBZUGPUPOIS-YVLHZVERSA-NSynonyms
CCOC(=O)C(=Cc1cc(I)c(c(c1)OCC)OCc1ccccc1)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)I)OCC2=CC=CC=C2
ethyl(2Z)3(4(benzyloxy)3ethoxy5iodophenyl)2cyanoprop2enoate
ethyl(Z)2cyano3(3ethoxy5iodo4phenylmethoxyphenyl)prop2enoate
InChI=1SC21H20INO4c1325191216(1017(1323)21(24)2642)1118(22)20(19)2714158657915h512H3414H212H3b1710
MFCD08678293
ZINC000009944297
ZINC09944297
ZINC9944297
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