Vitas-M small molecule compound
6,7-dimethoxy-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydroquinolin-2(1H)-one
Catalog ID
STK107967
SMILES COc1cc2NC(=O)CC(c2cc1OC)c1cc2OCOc2cc1[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 C18H16N2O7 MW 372.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O7/c1-24-14-3-10-9(5-18(21)19-12(10)6-15(14)25-2)11-4-16-17(27-8-26-16)7-13(11)20(22)23/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21)InChIKey
ATBNZGVSEHYHFM-UHFFFAOYSA-NSynonyms
(4S)67DIMETHOXY4(6NITRO13BENZODIOXOL5YL)34DIHYDROQUINOLIN2(1H)ONE
67DIMETHOXY4(6NITRO13BENZODIOXOL5YL)34DIHYDRO1HQUINOLIN2ONE
67DIMETHOXY4(6NITRO13BENZODIOXOL5YL)34DIHYDROQUINOLIN2(1H)ONE
COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)OC
COc1cc2NC(=O)CC(c2cc1OC)c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC18H16N2O7c124143109(518(21)1912(10)615(14)252)1141617(2782616)713(11)20(22)23h34679H58H212H3(H1921)
MFCD03632444
ZINC000001440250
ZINC000001440251
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