Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007268
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccccc1
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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 C29H33NO5S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5S/c1-4-34-25-17-20(11-12-23(25)31)27-26(29(33)35-13-14-36-5-2)18(3)30-22-15-21(16-24(32)28(22)27)19-9-7-6-8-10-19/h6-12,17,21,27,30-31H,4-5,13-16H2,1-3H3InChIKey
FFADTWNXPGLRJO-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCSCC)C)O
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccccc1
InChI=1SC29H33NO5Sc1434251720(111223(25)31)2726(29(33)3513143652)18(3)30221521(1624(32)28(22)27)1997681019h6121721273031H451316H213H3
MFCD01529765
STK007268
ZINC000008780638
ZINC000008780641
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