Vitas-M small molecule compound
3-ethyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407464
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)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 C23H26N2O7 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O7/c1-6-32-23(28)18-13(4)24-15-9-12(3)17(22(27)31-5)21(26)20(15)19(18)14-8-7-11(2)16(10-14)25(29)30/h7-8,10,12,17,19,24H,6,9H2,1-5H3InChIKey
SPZWUCJBIAZJLF-UHFFFAOYSA-NSynonyms
3ethyl6methyl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)C(C(C2)C)C(=O)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H26N2O7c163223(28)1813(4)2415912(3)17(22(27)315)21(26)20(15)19(18)148711(2)16(1014)25(29)30h781012171924H69H215H3
MFCD04057113
ZINC000019635773
ZINC000033834200
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