Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402687
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)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 C19H23NO3S2 MW 377.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO3S2/c1-3-24-10-8-23-19(22)16-12(2)20-14-5-4-6-15(21)18(14)17(16)13-7-9-25-11-13/h7,9,11,17,20H,3-6,8,10H2,1-2H3
InChIKey
XYOJOPIZDZSDRO-UHFFFAOYSA-N
Synonyms
347351-71-7
2(ethylsulfanyl)ethyl2methyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
347351717
CCSCCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CCC2)C
InChI=1SC19H23NO3S2c13241082319(22)1612(2)201454615(21)18(14)17(16)1379251113h79111720H36810H212H3
MFCD02104452
ZINC000002754506
ZINC000002754507

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.