Vitas-M small molecule compound
methyl (2Z)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate
Catalog ID
STK693908
SMILES COC(=O)/C(=C\c1cc(OC)c2c(c1)OCO2)/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 C13H11NO5 MW 261.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO5/c1-16-10-4-8(3-9(6-14)13(15)17-2)5-11-12(10)19-7-18-11/h3-5H,7H2,1-2H3/b9-3-InChIKey
YWGFLCBQBVTKRP-OQFOIZHKSA-NSynonyms
COC(=O)C(=Cc1cc(OC)c2c(c1)OCO2)C#N
COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)OC
InChI=1SC13H11NO5c1161048(39(614)13(15)172)51112(10)1971811h35H7H212H3b93
methyl(2Z)2cyano3(7methoxy13benzodioxol5yl)prop2enoate
methyl(Z)2cyano3(7methoxy13benzodioxol5yl)prop2enoate
MFCD12034133
ZINC000006453783
ZINC06453783
ZINC6453783
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