Vitas-M small molecule compound
3-ethyl 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407471
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)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 C24H28N2O9 MW 488.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O9/c1-6-34-16-10-13(9-15(21(16)27)26(31)32)19-18(24(30)35-7-2)12(4)25-14-8-11(3)17(23(29)33-5)22(28)20(14)19/h9-11,17,19,25,27H,6-8H2,1-5H3InChIKey
IAWPXPJCELJACP-UHFFFAOYSA-NSynonyms
3ethyl6methyl4(3ethoxy4hydroxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl4(3ethoxy4hydroxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)C(C(C2)C)C(=O)OC
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCC)C
InChI=1SC24H28N2O9c1634161013(915(21(16)27)26(31)32)1918(24(30)3572)12(4)2514811(3)17(23(29)335)22(28)20(14)19h91117192527H68H215H3
MFCD04057120
ZINC000020175563
ZINC000102556945
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