Vitas-M small molecule compound
4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 3-nitrobenzoate
Catalog ID
STK385626
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-3-28-19-11-14(10-16(13-22)20(24)29-4-2)8-9-18(19)30-21(25)15-6-5-7-17(12-15)23(26)27/h5-12H,3-4H2,1-2H3/b16-10+InChIKey
YHNXEQYYFYSFCN-MHWRWJLKSA-NSynonyms
(4((E)2CYANO3ETHOXY3OXOPROP1ENYL)2ETHOXYPHENYL)3NITROBENZOATE
4((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)2ETHOXYPHENYL3NITROBENZOATE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C(C(=O)OCC)C#N
ETHYL(2E)2CYANO3(3ETHOXY4(3NITROPHENYLCARBONYLOXY)PHENYL)PROP2ENOATE
InChI=1SC21H18N2O7c1328191114(1016(1322)20(24)2942)8918(19)3021(25)1565717(1215)23(26)27h512H34H212H3b1610+
MFCD02126622
ZINC000004512430
ZINC04512430
ZINC4512430
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