Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK421929
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)O)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)23-15-6-5-7-17(25)21(15)20(19)14-8-9-16(24)18(12-14)27-3/h8-9,12,20,23-24H,4-7,10-11H2,1-3H3InChIKey
MPKJSJSYGKVQBP-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4hydroxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4hydroxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OC)C(=O)CCC2)C
InChI=1SC22H27NO5Sc142911102822(26)1913(2)231565717(25)21(15)20(19)148916(24)18(1214)273h8912202324H471011H213H3
MFCD01655335
ZINC000003669401
ZINC000003669402
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Check stock on Vitas-MAvailable files
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