Vitas-M small molecule compound
3-ethyl 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407404
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)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 C23H26N2O9 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O9/c1-6-34-23(29)17-11(3)24-13-7-10(2)16(22(28)33-5)21(27)19(13)18(17)12-8-14(25(30)31)20(26)15(9-12)32-4/h8-10,16,18,24,26H,6-7H2,1-5H3InChIKey
IRBCUSYAIJAGSZ-UHFFFAOYSA-NSynonyms
3ethyl6methyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)C(C(C2)C)C(=O)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H26N2O9c163423(29)1711(3)2413710(2)16(22(28)335)21(27)19(13)18(17)12814(25(30)31)20(26)15(912)324h81016182426H67H215H3
MFCD04057053
ZINC000020351057
ZINC000035877232
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