Vitas-M small molecule compound
2-hydroxy-5-{(5E)-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Catalog ID
STL035731
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C(=O)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 C19H13NO6S2 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13NO6S2/c1-26-18(25)11-4-2-10(3-5-11)8-15-16(22)20(19(27)28-15)12-6-7-14(21)13(9-12)17(23)24/h2-9,21H,1H3,(H,23,24)/b15-8+InChIKey
ZSDAFWXYRGKVDO-OVCLIPMQSA-NSynonyms
2hydroxy5((5E)5((4methoxycarbonylphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)benzoicacid
2hydroxy5((5E)5(4(methoxycarbonyl)benzylidene)4oxo2thioxo13thiazolidin3yl)benzoicacid
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)c1ccc(c(c1)C(=O)O)O
InChI=1SC19H13NO6S2c12618(25)114210(3511)81516(22)20(19(27)2815)126714(21)13(912)17(23)24h2921H1H3(H2324)b158+
MFCD18192131
ZINC000032707961
ZINC32707961
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