Vitas-M small molecule compound
6-methyl 3-propyl 4-(4-chloro-3-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404475
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)C(C(C2)C)C(=O)OC
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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 C23H25ClN2O7 MW 476.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O7/c1-5-8-33-23(29)18-12(3)25-15-9-11(2)17(22(28)32-4)21(27)20(15)19(18)13-6-7-14(24)16(10-13)26(30)31/h6-7,10-11,17,19,25H,5,8-9H2,1-4H3InChIKey
QELDAYDXUHGIPF-UHFFFAOYSA-NSynonyms
6methyl3propyl4(4chloro3nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropyl4(4chloro3nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)C(C(C2)C)C(=O)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H25ClN2O7c1583323(29)1812(3)2515911(2)17(22(28)324)21(27)20(15)19(18)136714(24)16(1013)26(30)31h671011171925H589H214H3
MFCD04226237
ZINC000020561054
ZINC000033834301
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