Vitas-M small molecule compound
methyl 7-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK406963
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)[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 C18H18N2O6 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6/c1-9-6-13-16(17(22)15(9)18(23)26-2)12(8-14(21)19-13)10-4-3-5-11(7-10)20(24)25/h3-5,7,9,12,15H,6,8H2,1-2H3,(H,19,21)InChIKey
CFUJJKPIHVSIKF-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(CC(=O)N2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H18N2O6c1961316(17(22)15(9)18(23)262)12(814(21)1913)1043511(710)20(24)25h35791215H68H212H3(H1921)
methyl7methyl4(3nitrophenyl)25dioxo12345678octahydroquinoline6carboxylate
methyl7methyl4(3nitrophenyl)25dioxo134678hexahydroquinoline6carboxylate
MFCD07613430
ZINC000017073901
ZINC000102563244
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