Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Catalog ID
STK088110
SMILES COc1cc(ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)[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 C17H14N2O6 MW 342.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O6/c1-23-15-9-12(19(21)22)4-5-13(15)18-17(20)7-3-11-2-6-14-16(8-11)25-10-24-14/h2-9H,10H2,1H3,(H,18,20)/b7-3+InChIKey
NFHDAZYLAOMKKL-XVNBXDOJSA-NSynonyms
349578-44-5(2E)3(13BENZODIOXOL5YL)N(2METHOXY4NITROPHENYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2METHOXY4NITROPHENYL)PROP2ENAMIDE
349578445
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C=CC2=CC3=C(C=C2)OCO3
COc1cc(ccc1NC(=O)C=Cc1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC17H14N2O6c12315912(19(21)22)4513(15)1817(20)7311261416(811)25102414h29H10H21H3(H1820)b73+
MFCD02242976
STK088110
ZINC000004673189
ZINC04673189
ZINC4673189
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