Vitas-M small molecule compound

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

Catalog ID
STK046386
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1ccc(cc1)OC

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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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-4-35-13-12-34-28(32)25-17(2)29-23-15-20(18-8-10-22(33-3)11-9-18)16-24(31)27(23)26(25)19-6-5-7-21(30)14-19/h5-11,14,20,26,29-30H,4,12-13,15-16H2,1-3H3
InChIKey
GGWFSVRNECHTQT-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(3hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1ccc(cc1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC28H31NO5Sc143513123428(32)2517(2)29231520(1881022(333)11918)1624(31)27(23)26(25)1965721(30)1419h5111420262930H412131516H213H3
MFCD01824449
STK046386
ZINC000018126393
ZINC000100557223

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Available files

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