Vitas-M small molecule compound

3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK407423
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)C(C(C2)C)C(=O)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 C23H29NO5S2 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5S2/c1-6-30-10-9-29-23(27)18-14(4)24-15-11-12(2)17(22(26)28-5)21(25)19(15)20(18)16-8-7-13(3)31-16/h7-8,12,17,20,24H,6,9-11H2,1-5H3
InChIKey
XKNKDKXAMCYBQW-UHFFFAOYSA-N
Synonyms

3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(S3)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H29NO5S2c16301092923(27)1814(4)24151112(2)17(22(26)285)21(25)19(15)20(18)168713(3)3116h7812172024H6911H215H3
MFCD04057072
ZINC000002806098
ZINC000033643120

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Available files

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