Vitas-M small molecule compound
ethyl (2Z)-2-cyano-3-(3-ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoate
Catalog ID
STK362852
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/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 C21H21NO6S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6S/c1-4-26-20-13-16(12-17(14-22)21(23)27-5-2)8-11-19(20)28-29(24,25)18-9-6-15(3)7-10-18/h6-13H,4-5H2,1-3H3/b17-12-InChIKey
RQBLDZNVFSHZOG-ATVHPVEESA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)C
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C(C(=O)OCC)C#N
ETHYL(2Z)2CYANO3(3ETHOXY4(((4METHYLPHENYL)SULFONYL)OXY)PHENYL)PROP2ENOATE
ETHYL(Z)2CYANO3(3ETHOXY4(4METHYLPHENYL)SULFONYLOXYPHENYL)PROP2ENOATE
InChI=1SC21H21NO6Sc1426201316(1217(1422)21(23)2752)81119(20)2829(2425)189615(3)71018h613H45H213H3b1712
MFCD02126925
ZINC000006595637
ZINC06595637
ZINC6595637
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