Vitas-M small molecule compound
ethyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
Catalog ID
STK414075
SMILES [O-][N+](=O)c1cc(/C=C(/C(=O)OCC)\C#N)c(cc1)Cl
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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 C12H9ClN2O4 MW 280.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN2O4/c1-2-19-12(16)9(7-14)5-8-6-10(15(17)18)3-4-11(8)13/h3-6H,2H2,1H3/b9-5+InChIKey
DOTVINAUVQPFIC-WEVVVXLNSA-NSynonyms
(O)(N+)(=O)c1cc(C=C(C(=O)OCC)C#N)c(cc1)Cl
3(2CHLORO5NITROPHENYL)2CYANOPROPENOICACIDETHYLESTER
CCOC(=O)C(=CC1=C(C=CC(=C1)(N+)(=O)(O))Cl)C#N
ethyl(2E)3(2chloro5nitrophenyl)2cyanoprop2enoate
ETHYL(E)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENOATE
InChI=1SC12H9ClN2O4c121912(16)9(714)58610(15(17)18)3411(8)13h36H2H21H3b95+
MFCD01163531
ZINC000001759829
ZINC01759829
ZINC1759829
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