Vitas-M small molecule compound
4-{(5E)-5-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK655952
SMILES OC(=O)CCCN1C(=S)S/C(=C/c2cc3CCCN4c3c(c2O)CCC4)/C1=O
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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 C20H22N2O4S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S2/c23-16(24)6-3-9-22-19(26)15(28-20(22)27)11-13-10-12-4-1-7-21-8-2-5-14(17(12)21)18(13)25/h10-11,25H,1-9H2,(H,23,24)/b15-11+InChIKey
NUIUSJUPHSXFIG-RVDMUPIBSA-NSynonyms
676652-06-5(E)4(5((8hydroxy123567hexahydropyrido(321ij)quinolin9yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5E)5((8hydroxy2367tetrahydro1H5Hpyrido(321ij)quinolin9yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
676652065
C1CC2=C3C(=C(C(=C2)C=C4C(=O)N(C(=S)S4)CCCC(=O)O)O)CCCN3C1
InChI=1SC20H22N2O4S2c2316(24)6392219(26)15(2820(22)27)111310124172182514(17(12)21)18(13)25h101125H19H2(H2324)b1511+
MFCD09854878
OC(=O)CCCN1C(=S)SC(=Cc2cc3CCCN4c3c(c2O)CCC4)C1=O
ZINC000013720471
ZINC13720471
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