Vitas-M small molecule compound
(2E)-2-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STL436548
SMILES COc1cc(OC)c(cc1/C=C(\c1ccc2c(c1)OCO2)/C#N)[N+](=O)[O-]
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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 C18H14N2O6 MW 354.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6/c1-23-16-8-17(24-2)14(20(21)22)6-12(16)5-13(9-19)11-3-4-15-18(7-11)26-10-25-15/h3-8H,10H2,1-2H3/b13-5-InChIKey
XCBGYSBBPKAYSN-ACAGNQJTSA-NSynonyms
(2E)2(13benzodioxol5yl)3(24dimethoxy5nitrophenyl)prop2enenitrile
(E)2(13BENZODIOXOL5YL)3(24DIMETHOXY5NITROPHENYL)PROP2ENENITRILE
COC1=CC(=C(C=C1C=C(C#N)C2=CC3=C(C=C2)OCO3)(N+)(=O)(O))OC
COc1cc(OC)c(cc1C=C(c1ccc2c(c1)OCO2)C#N)(N+)(=O)(O)
InChI=1SC18H14N2O6c12316817(242)14(20(21)22)612(16)513(919)11341518(711)26102515h38H10H212H3b135
MFCD05824573
ZINC000016362105
ZINC16362105
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