Vitas-M small molecule compound
2-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Catalog ID
STK093580
SMILES CCOC(=O)/C(=C/c1ccccc1OC(=O)c1ccc(cc1)OC)/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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c1-3-25-19(22)16(13-21)12-15-6-4-5-7-18(15)26-20(23)14-8-10-17(24-2)11-9-14/h4-12H,3H2,1-2H3/b16-12+InChIKey
GOYPABYKTNRMKS-FOWTUZBSSA-NSynonyms
(2((E)2CYANO3ETHOXY3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
2((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)PHENYL4METHOXYBENZOATE
CCOC(=O)C(=CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC)C#N
CCOC(=O)C(=Cc1ccccc1OC(=O)c1ccc(cc1)OC)C#N
InChI=1SC20H17NO5c132519(22)16(1321)1215645718(15)2620(23)1481017(242)11914h412H3H212H3b1612+
MFCD03061731
STK093580
ZINC000004675314
ZINC04675314
ZINC4675314
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