Vitas-M small molecule compound
dimethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776854
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)C(C(C2)c1cccs1)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 C25H25NO5S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S2/c1-13-19(24(28)30-2)20(14-7-9-15(32-4)10-8-14)22-17(26-13)12-16(18-6-5-11-33-18)21(23(22)27)25(29)31-3/h5-11,16,20-21,26H,12H2,1-4H3InChIKey
UTYNTKQEIVSPJB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC=C(C=C4)SC)C(=O)OC
dimethyl2methyl4(4(methylsulfanyl)phenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2methyl4(4methylsulfanylphenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC25H25NO5S2c11319(24(28)302)20(147915(324)10814)2217(2613)1216(1865113318)21(23(22)27)25(29)313h51116202126H12H214H3
MFCD05259689
ZINC000019858208
ZINC000217617190
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