Vitas-M small molecule compound
ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373570
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)C(=O)CCC2
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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 C21H24N2O7 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O7/c1-5-30-21(25)18-11(2)22-13-7-6-8-15(24)20(13)19(18)12-9-16(28-3)17(29-4)10-14(12)23(26)27/h9-10,19,22H,5-8H2,1-4H3InChIKey
SOIWMEGZFXBTOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)CCC2)C
ethyl4(45dimethoxy2nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(45dimethoxy2nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H24N2O7c153021(25)1811(2)221376815(24)20(13)19(18)12916(283)17(294)1014(12)23(26)27h9101922H58H214H3
MFCD00785428
ZINC000019760466
ZINC000019760469
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