Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK051006
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-4-27-13-12-26-22(25)19-15(3)23-17-6-5-7-18(24)21(17)20(19)16-10-8-14(2)9-11-16/h8-11,20,23H,4-7,12-13H2,1-3H3InChIKey
QVOANCKNJKSRRY-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CCC2)C
InChI=1SC22H27NO3Sc142713122622(25)1915(3)231765718(24)21(17)20(19)1610814(2)91116h8112023H471213H213H3
MFCD01446359
STK051006
ZINC000002926403
ZINC000002926405
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