Vitas-M small molecule compound
methyl (2E)-2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-iodophenyl}prop-2-enoate
Catalog ID
STL416014
SMILES CCOc1cc(/C=C(/C(=O)OC)\C#N)cc(c1OCc1ccccc1C#N)I
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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 C21H17IN2O4 MW 488.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17IN2O4/c1-3-27-19-10-14(8-17(12-24)21(25)26-2)9-18(22)20(19)28-13-16-7-5-4-6-15(16)11-23/h4-10H,3,13H2,1-2H3/b17-8+InChIKey
CJYLFPFUKJOBAA-CAOOACKPSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)I)OCC2=CC=CC=C2C#N
CCOc1cc(C=C(C(=O)OC)C#N)cc(c1OCc1ccccc1C#N)I
InChI=1SC21H17IN2O4c1327191014(817(1224)21(25)262)918(22)20(19)281316754615(16)1123h410H313H212H3b178+
methyl(2E)2cyano3(4((2cyanobenzyl)oxy)3ethoxy5iodophenyl)prop2enoate
methyl(E)2cyano3(4((2cyanophenyl)methoxy)3ethoxy5iodophenyl)prop2enoate
MFCD30706910
ZINC000220955716
ZINC220955716
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