Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363630
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)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 C23H29NO5S MW 431.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5S/c1-4-28-19-13-15(9-10-17(19)25)21-20(23(27)29-11-12-30-5-2)14(3)24-16-7-6-8-18(26)22(16)21/h9-10,13,21,24-25H,4-8,11-12H2,1-3H3InChIKey
FIZWGONPSISODT-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C)O
InChI=1SC23H29NO5Sc1428191315(91017(19)25)2120(23(27)2911123052)14(3)241676818(26)22(16)21h91013212425H481112H213H3
MFCD01446361
ZINC000004067990
ZINC000004067991
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