Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2,5-dioxo-1-phenyl-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK781286
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccccc1)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 C28H24N2O6S MW 516.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6S/c1-2-36-28(33)26-21(23-12-7-13-37-23)15-22-25(27(26)32)20(17-8-6-11-19(14-17)30(34)35)16-24(31)29(22)18-9-4-3-5-10-18/h3-14,20-21,26H,2,15-16H2,1H3InChIKey
PBBRGZRGOTWYMG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccccc1)c1cccc(c1)(N+)(=O)(O))c1cccs1
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
ethyl4(3nitrophenyl)25dioxo1phenyl7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(3nitrophenyl)25dioxo1phenyl7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC28H24N2O6Sc123628(33)2621(23127133723)152225(27(26)32)20(17861119(1417)30(34)35)1624(31)29(22)1894351018h314202126H21516H21H3
MFCD06014802
ZINC000012413054
ZINC000014944123
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