Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Catalog ID
STK115567
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C17H14N2O6 MW 342.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O6/c1-23-12-4-5-13(14(9-12)19(21)22)18-17(20)7-3-11-2-6-15-16(8-11)25-10-24-15/h2-9H,10H2,1H3,(H,18,20)/b7-3+InChIKey
OGHWCNDAOKXAJB-XVNBXDOJSA-NSynonyms
290835-75-5(2E)3(13BENZODIOXOL5YL)N(4METHOXY2NITROPHENYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(4METHOXY2NITROPHENYL)PROP2ENAMIDE
290835755
COC1=CC(=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC17H14N2O6c123124513(14(912)19(21)22)1817(20)7311261516(811)25102415h29H10H21H3(H1820)b73+
MFCD00705561
ZINC000003960237
ZINC03960237
ZINC3960237
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