Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-chloro-6-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407407
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1c(F)cccc1Cl)C(=O)C(C(C2)C)C(=O)OC
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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 C24H27ClFNO5S MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClFNO5S/c1-5-33-10-9-32-24(30)18-13(3)27-16-11-12(2)17(23(29)31-4)22(28)20(16)21(18)19-14(25)7-6-8-15(19)26/h6-8,12,17,21,27H,5,9-11H2,1-4H3InChIKey
JYOQBPHZMZXAHI-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(2chloro6fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(2chloro6fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC=C3Cl)F)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC24H27ClFNO5Sc15331093224(30)1813(3)27161112(2)17(23(29)314)22(28)20(16)21(18)1914(25)76815(19)26h6812172127H5911H214H3
MFCD04057056
ZINC000020190375
ZINC000035395968
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