Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033479
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)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 C27H29NO4S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4S/c1-3-33-16-15-31-27(30)24-18(2)28-22-13-8-14-23(29)26(22)25(24)19-9-7-12-21(17-19)32-20-10-5-4-6-11-20/h4-7,9-12,17,25,28H,3,8,13-16H2,1-2H3InChIKey
VGMAXINGOJPORV-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo4(3phenoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)CCC2)C
InChI=1SC27H29NO4Sc133316153127(30)2418(2)28221381423(29)26(22)25(24)19971221(1719)3220105461120h47912172528H381316H212H3
MFCD02375942
STK033479
ZINC000002784172
ZINC000002784173
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