Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK782741
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)[N+](=O)[O-])c1cccs1
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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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-2-30-22(27)20-15(17-7-4-8-31-17)10-16-19(21(20)26)14(11-18(25)23-16)12-5-3-6-13(9-12)24(28)29/h3-9,14-15,20H,2,10-11H2,1H3,(H,23,25)InChIKey
DFYBWVUGWKTAML-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)(N+)(=O)(O))c1cccs1
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CS4
ethyl4(3nitrophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(3nitrophenyl)25dioxo7thiophen2yl134678hexahydroquinoline6carboxylate
InChI=1SC22H20N2O6Sc123022(27)2015(177483117)101619(21(20)26)14(1118(25)2316)1253613(912)24(28)29h39141520H21011H21H3(H2325)
MFCD06616689
ZINC000012413005
ZINC000014944853
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