Vitas-M small molecule compound
ethyl (2E)-2-cyano-3-(3-iodo-5-methoxy-4-propoxyphenyl)prop-2-enoate
Catalog ID
STK285187
SMILES CCCOc1c(I)cc(cc1OC)/C=C(/C(=O)OCC)\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 C16H18INO4 MW 415.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18INO4/c1-4-6-22-15-13(17)8-11(9-14(15)20-3)7-12(10-18)16(19)21-5-2/h7-9H,4-6H2,1-3H3/b12-7+InChIKey
MTAKOFZHQBMXJH-KPKJPENVSA-NSynonyms
CCCOC1=C(C=C(C=C1I)C=C(C#N)C(=O)OCC)OC
CCCOc1c(I)cc(cc1OC)C=C(C(=O)OCC)C#N
ETHYL(2E)2CYANO3(3IODO5METHOXY4PROPOXYPHENYL)PROP2ENOATE
ETHYL(E)2CYANO3(3IODO5METHOXY4PROPOXYPHENYL)PROP2ENOATE
InChI=1SC16H18INO4c146221513(17)811(914(15)203)712(1018)16(19)2152h79H46H213H3b127+
MFCD06615211
ZINC000013942807
ZINC13942807
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