Vitas-M small molecule compound
5-({[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoic acid
Catalog ID
STL035942
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc(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 C21H18N2O7S2 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S2/c1-29-15-6-3-11(7-16(15)30-2)8-17-19(26)23(21(31)32-17)10-18(25)22-12-4-5-14(24)13(9-12)20(27)28/h3-9,24H,10H2,1-2H3,(H,22,25)(H,27,28)/b17-8+InChIKey
JXYNHZQFPPPJLQ-CAOOACKPSA-NSynonyms
5((((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)2hydroxybenzoicacid
5((2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)2hydroxybenzoicacid
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC(=C(C=C3)O)C(=O)O)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O
InChI=1SC21H18N2O7S2c129156311(716(15)302)81719(26)23(21(31)3217)1018(25)22124514(24)13(912)20(27)28h3924H10H212H3(H2225)(H2728)b178+
MFCD18192265
ZINC000027530625
ZINC27530625
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