Vitas-M small molecule compound
ethyl (2Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate
Catalog ID
STK730429
SMILES [O-][N+](=O)c1cc2OCOc2cc1/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 C13H10N2O6 MW 290.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O6/c1-2-19-13(16)9(6-14)3-8-4-11-12(21-7-20-11)5-10(8)15(17)18/h3-5H,2,7H2,1H3/b9-3-InChIKey
BDZOKVLURQFWED-OQFOIZHKSA-NSynonyms
(O)(N+)(=O)c1cc2OCOc2cc1C=C(C(=O)OCC)C#N
CCOC(=O)C(=CC1=CC2=C(C=C1(N+)(=O)(O))OCO2)C#N
ethyl(2Z)2cyano3(6nitro13benzodioxol5yl)prop2enoate
ethyl(Z)2cyano3(6nitro13benzodioxol5yl)prop2enoate
InChI=1SC13H10N2O6c121913(16)9(614)3841112(2172011)510(8)15(17)18h35H27H21H3b93
MFCD00414388
ZINC000004456775
ZINC04456775
ZINC4456775
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