Vitas-M small molecule compound

2-({[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoic acid

Catalog ID
STL035938
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccccc1C(=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 C21H18N2O6S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S2/c1-28-15-8-7-12(9-16(15)29-2)10-17-19(25)23(21(30)31-17)11-18(24)22-14-6-4-3-5-13(14)20(26)27/h3-10H,11H2,1-2H3,(H,22,24)(H,26,27)/b17-10+
InChIKey
LMCMGXGPHMJPPZ-LICLKQGHSA-N
Synonyms

2((((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)benzoicacid
2((2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)benzoicacid
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC=C3C(=O)O)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccccc1C(=O)O
InChI=1SC21H18N2O6S2c128158712(916(15)292)101719(25)23(21(30)3117)1118(24)2214643513(14)20(26)27h310H11H212H3(H2224)(H2627)b1710+
MFCD18192261
ZINC000027530619
ZINC27530619

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Available files

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