Vitas-M small molecule compound
ethyl 4-(2,3-dichlorophenyl)-1-(2-methylphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686981
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1Cl)Cl)c1ccccc1C
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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 C29H25Cl2NO4S MW 554.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25Cl2NO4S/c1-3-36-29(35)26-19(23-12-7-13-37-23)14-22-25(28(26)34)18(17-9-6-10-20(30)27(17)31)15-24(33)32(22)21-11-5-4-8-16(21)2/h4-13,18-19,26H,3,14-15H2,1-2H3InChIKey
VQAYHCKYFDZTCL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3C)C4=C(C(=CC=C4)Cl)Cl)C5=CC=CS5
ethyl4(23dichlorophenyl)1(2methylphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(23dichlorophenyl)1(2methylphenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H25Cl2NO4Sc133629(35)2619(23127133723)142225(28(26)34)18(17961020(30)27(17)31)1524(33)32(22)211154816(21)2h413181926H31415H212H3
MFCD06617020
ZINC000098008130
ZINC000103022976
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