Vitas-M small molecule compound
2-hydroxy-4-({[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoic acid
Catalog ID
STL036208
SMILES COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)O)C(=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 C20H16N2O7S2 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7S2/c1-29-15-6-10(2-5-13(15)23)7-16-18(26)22(20(30)31-16)9-17(25)21-11-3-4-12(19(27)28)14(24)8-11/h2-8,23-24H,9H2,1H3,(H,21,25)(H,27,28)/b16-7-InChIKey
AAWGLTXVABYXGN-APSNUPSMSA-NSynonyms
2hydroxy4((((5Z)5(4hydroxy3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)benzoicacid
2hydroxy4((2((5Z)5((4hydroxy3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)benzoicacid
2HYDROXY4(2(5((4HYDROXY3METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))ACETYLAMINO)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC(=C(C=C3)C(=O)O)O)O
COc1cc(ccc1O)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)O)C(=O)O
InChI=1SC20H16N2O7S2c12915610(2513(15)23)71618(26)22(20(30)3116)917(25)21113412(19(27)28)14(24)811h282324H9H21H3(H2125)(H2728)b167
MFCD18192368
ZINC000054360671
ZINC54360671
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