Vitas-M small molecule compound
4-methyl-2-{(5E)-5-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
Catalog ID
STK627854
SMILES CC(CC(N1C(=S)S/C(=C/c2ccc3c(c2)CCCN3C)/C1=O)C(=O)O)C
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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 C20H24N2O3S2 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S2/c1-12(2)9-16(19(24)25)22-18(23)17(27-20(22)26)11-13-6-7-15-14(10-13)5-4-8-21(15)3/h6-7,10-12,16H,4-5,8-9H2,1-3H3,(H,24,25)/b17-11+InChIKey
LPMHWPBUPFMTRI-GZTJUZNOSA-NSynonyms
(E)4methyl2(5((1methyl1234tetrahydroquinolin6yl)methylene)4oxo2thioxothiazolidin3yl)pentanoicacid
4methyl2((5E)5((1methyl1234tetrahydroquinolin6yl)methylidene)4oxo2thioxo13thiazolidin3yl)pentanoicacid
4methyl2((5E)5((1methyl34dihydro2Hquinolin6yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanoicacid
CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CC3=C(C=C2)N(CCC3)C)SC1=S
CC(CC(N1C(=S)SC(=Cc2ccc3c(c2)CCCN3C)C1=O)C(=O)O)C
InChI=1SC20H24N2O3S2c112(2)916(19(24)25)2218(23)17(2720(22)26)1113671514(1013)54821(15)3h67101216H4589H213H3(H2425)b1711+
MFCD09859027
ZINC000013736358
ZINC000013736361
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