Vitas-M small molecule compound
ethyl 4-(3-chlorophenyl)-2,5-dioxo-1-phenyl-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK782742
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccccc1)C(=O)CC2c1cccc(c1)Cl
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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 C28H24ClNO4S MW 506.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClNO4S/c1-2-34-28(33)26-21(23-12-7-13-35-23)15-22-25(27(26)32)20(17-8-6-9-18(29)14-17)16-24(31)30(22)19-10-4-3-5-11-19/h3-14,20-21,26H,2,15-16H2,1H3InChIKey
HEEVFTSCLNCCOL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=CS5
ethyl4(3chlorophenyl)25dioxo1phenyl7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(3chlorophenyl)25dioxo1phenyl7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC28H24ClNO4Sc123428(33)2621(23127133523)152225(27(26)32)20(1786918(29)1417)1624(31)30(22)19104351119h314202126H21516H21H3
MFCD06616693
ZINC000012413048
ZINC000014944861
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