Vitas-M small molecule compound
2-{(5E)-5-[(8-ethoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Catalog ID
STK620703
SMILES CCOc1cccc2c1nc(cc2)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CCC(=O)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 C20H18N2O6S2 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S2/c1-2-28-14-5-3-4-11-6-7-12(21-17(11)14)10-15-18(25)22(20(29)30-15)13(19(26)27)8-9-16(23)24/h3-7,10,13H,2,8-9H2,1H3,(H,23,24)(H,26,27)/b15-10+InChIKey
RBEZIAUSVSKIAW-XNTDXEJSSA-NSynonyms
(E)2(5((8ethoxyquinolin2yl)methylene)4oxo2thioxothiazolidin3yl)pentanedioicacid
2((5E)5((8ethoxyquinolin2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)5((8ethoxyquinolin2yl)methylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
CCOC1=CC=CC2=C1N=C(C=C2)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O
CCOc1cccc2c1nc(cc2)C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC20H18N2O6S2c122814534116712(2117(11)14)101518(25)22(20(29)3015)13(19(26)27)8916(23)24h371013H289H21H3(H2324)(H2627)b1510+
MFCD09857610
ZINC000013730886
ZINC000013730889
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