Vitas-M small molecule compound
ethyl (2E)-2-cyano-3-{2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl}prop-2-enoate
Catalog ID
STK078748
SMILES CCOC(=O)/C(=C/c1cc(ccc1OCCOc1ccc(cc1)C)[N+](=O)[O-])/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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-3-27-21(24)17(14-22)12-16-13-18(23(25)26)6-9-20(16)29-11-10-28-19-7-4-15(2)5-8-19/h4-9,12-13H,3,10-11H2,1-2H3/b17-12+InChIKey
UNNLOVZMMOLTLB-SFQUDFHCSA-NSynonyms
CCOC(=O)C(=CC1=C(C=CC(=C1)(N+)(=O)(O))OCCOC2=CC=C(C=C2)C)C#N
CCOC(=O)C(=Cc1cc(ccc1OCCOc1ccc(cc1)C)(N+)(=O)(O))C#N
ETHYL(2E)2CYANO3(2(2(4METHYLPHENOXY)ETHOXY)5NITROPHENYL)PROP2ENOATE
ETHYL(E)2CYANO3(2(2(4METHYLPHENOXY)ETHOXY)5NITROPHENYL)PROP2ENOATE
InChI=1SC21H20N2O6c132721(24)17(1422)12161318(23(25)26)6920(16)29111028197415(2)5819h491213H31011H212H3b1712+
MFCD02125918
STK078748
ZINC000004511874
ZINC04511874
ZINC4511874
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