Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitrobenzoate
Catalog ID
STK128477
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2
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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 C17H14N2O7 MW 358.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O7/c1-24-17(21)11-6-10(7-13(8-11)19(22)23)16(20)18-12-2-3-14-15(9-12)26-5-4-25-14/h2-3,6-9H,4-5H2,1H3,(H,18,20)InChIKey
XVTMCTSBBCADQO-UHFFFAOYSA-NSynonyms
600146-72-3600146723
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc2c(c1)OCCO2
InChI=1SC17H14N2O7c12417(21)11610(713(811)19(22)23)16(20)1812231415(912)26542514h2369H45H21H3(H1820)
METHYL3(23DIHYDRO14BENZODIOXIN6YLCARBAMOYL)5NITROBENZOATE
METHYL5(N(2H3HBENZO(34E)14DIOXIN6YL)CARBAMOYL)3NITROBENZOATE
MFCD03930000
ZINC000004700473
ZINC04700473
ZINC4700473
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