Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062967
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccccc1
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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 C27H28FNO3S MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO3S/c1-3-33-14-13-32-27(31)24-17(2)29-22-15-20(18-7-5-4-6-8-18)16-23(30)26(22)25(24)19-9-11-21(28)12-10-19/h4-12,20,25,29H,3,13-16H2,1-2H3InChIKey
IJCIWXCNCLPGJW-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4fluorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4fluorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28FNO3Sc133314133227(31)2417(2)29221520(187546818)1623(30)26(22)25(24)1991121(28)121019h412202529H31316H212H3
MFCD02632942
STK062967
ZINC000002772090
ZINC000002772093
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