Vitas-M small molecule compound
6-methyl 3-propan-2-yl 4-(4-chloro-3-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404690
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)[N+](=O)[O-])Cl)C(=C(N2)C)C(=O)OC(C)C
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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/c1-10(2)33-23(29)18-12(4)25-15-8-11(3)17(22(28)32-5)21(27)20(15)19(18)13-6-7-14(24)16(9-13)26(30)31/h6-7,9-11,17,19,25H,8H2,1-5H3InChIKey
LNFJWNBQGAWCKO-UHFFFAOYSA-NSynonyms
6methyl3propan2yl4(4chloro3nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(4chloro3nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)(N+)(=O)(O))Cl)C(=C(N2)C)C(=O)OC(C)C
InChI=1SC23H25ClN2O7c110(2)3323(29)1812(4)2515811(3)17(22(28)325)21(27)20(15)19(18)136714(24)16(913)26(30)31h67911171925H8H215H3
MFCD05031592
ZINC000001460868
ZINC000239338974
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