Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076335
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(C)C
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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 C24H28F3NO3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28F3NO3S/c1-5-32-11-10-31-22(30)19-14(2)28-17-12-23(3,4)13-18(29)21(17)20(19)15-8-6-7-9-16(15)24(25,26)27/h6-9,20,28H,5,10-13H2,1-4H3InChIKey
MZBCAXCLBYPBGE-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CC(C2)(C)C)C
InChI=1SC24H28F3NO3Sc153211103122(30)1914(2)28171223(34)1318(29)21(17)20(19)15867916(15)24(2526)27h692028H51013H214H3
MFCD02188205
STK076335
ZINC000002775876
ZINC000002775877
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