Vitas-M small molecule compound
2-{(5E)-4-oxo-5-[2-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanedioic acid
Catalog ID
STL035747
SMILES C=CCOc1ccccc1/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CC(=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 C17H15NO6S2 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO6S2/c1-2-7-24-12-6-4-3-5-10(12)8-13-15(21)18(17(25)26-13)11(16(22)23)9-14(19)20/h2-6,8,11H,1,7,9H2,(H,19,20)(H,22,23)/b13-8+InChIKey
MXASAHLXVYVTHA-MDWZMJQESA-NSynonyms
2((5E)4oxo5((2prop2enoxyphenyl)methylidene)2sulfanylidene13thiazolidin3yl)butanedioicacid
2((5E)4oxo5(2(prop2en1yloxy)benzylidene)2thioxo13thiazolidin3yl)butanedioicacid
C=CCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O
C=CCOc1ccccc1C=C1SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
InChI=1SC17H15NO6S2c1272412643510(12)81315(21)18(17(25)2613)11(16(22)23)914(19)20h26811H179H2(H1920)(H2223)b138+
MFCD18192138
ZINC000006856094
ZINC000006856099
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