Vitas-M small molecule compound

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

Catalog ID
STK407304
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)c1cccs1

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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 C25H26FNO3S2 MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FNO3S2/c1-3-31-11-9-30-25(29)22-15(2)27-19-13-17(21-8-5-10-32-21)14-20(28)24(19)23(22)16-6-4-7-18(26)12-16/h4-8,10,12,17,23,27H,3,9,11,13-14H2,1-2H3
InChIKey
DBWZWWGEUUDLBT-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(3fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)F)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC25H26FNO3S2c13311193025(29)2215(2)27191317(2185103221)1420(28)24(19)23(22)1664718(26)1216h481012172327H39111314H212H3
MFCD02627260
ZINC000002190958
ZINC000002190961

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Available files

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