Vitas-M small molecule compound
[(5E)-5-{3-methoxy-4-[(phenylcarbonyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL427610
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/SC(=S)N(C1=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 C20H15NO6S2 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15NO6S2/c1-26-15-9-12(10-16-18(24)21(11-17(22)23)20(28)29-16)7-8-14(15)27-19(25)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,23)/b16-10+InChIKey
DEUMGSQWRUVWIM-MHWRWJLKSA-NSynonyms
((5E)5(3methoxy4((phenylcarbonyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4benzoyloxy3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=CC=C3
COc1cc(ccc1OC(=O)c1ccccc1)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC20H15NO6S2c12615912(101618(24)21(1117(22)23)20(28)2916)7814(15)2719(25)135324613h210H11H21H3(H2223)b1610+
MFCD01335242
ZINC000006906854
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