Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK421927
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)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 C22H27NO5S2 MW 449.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S2/c1-5-29-10-8-28-22(26)17-13(3)23-14-11-12(2)16(21(25)27-4)20(24)18(14)19(17)15-7-6-9-30-15/h6-7,9,12,16,19,23H,5,8,10-11H2,1-4H3InChIKey
VQCAPNGENLQDQI-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC22H27NO5S2c15291082822(26)1713(3)23141112(2)16(21(25)274)20(24)18(14)19(17)157693015h67912161923H581011H214H3
MFCD05025496
ZINC000020029002
ZINC000033936429
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