Vitas-M small molecule compound

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

Catalog ID
STK407282
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)OC)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-4-29-11-10-28-22(26)19-13(2)23-15-6-5-7-16(24)21(15)20(19)14-8-9-18(27-3)17(25)12-14/h8-9,12,20,23,25H,4-7,10-11H2,1-3H3
InChIKey
JZAGDTBLZBMHHR-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(3hydroxy4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3hydroxy4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)O)C(=O)CCC2)C
InChI=1SC22H27NO5Sc142911102822(26)1913(2)231565716(24)21(15)20(19)148918(273)17(25)1214h8912202325H471011H213H3
MFCD01656020
ZINC000018144188
ZINC000100084627

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Available files

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