Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407588
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)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 C25H28F3NO5S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3NO5S/c1-5-35-11-10-34-24(32)19-14(3)29-17-12-13(2)18(23(31)33-4)22(30)21(17)20(19)15-6-8-16(9-7-15)25(26,27)28/h6-9,13,18,20,29H,5,10-12H2,1-4H3InChIKey
HCPLBKQSEOCQFM-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(F)(F)F)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H28F3NO5Sc153511103424(32)1914(3)29171213(2)18(23(31)334)22(30)21(17)20(19)156816(9715)25(2627)28h6913182029H51012H214H3
MFCD04221606
ZINC000020190527
ZINC000033834445
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