Vitas-M small molecule compound

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

Catalog ID
STL035869
SMILES CCOc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc(cc1)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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c1-2-28-16-9-3-13(4-10-16)11-17-19(25)23(21(29)30-17)12-18(24)22-15-7-5-14(6-8-15)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)/b17-11+
InChIKey
LEBKVIOMBCGPBL-GZTJUZNOSA-N
Synonyms

4((((5E)5(4ethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)benzoicacid
4((2((5E)5((4ethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)benzoicacid
CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O
CCOc1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccc(cc1)C(=O)O
InChI=1SC21H18N2O5S2c1228169313(41016)111719(25)23(21(29)3017)1218(24)22157514(6815)20(26)27h311H212H21H3(H2224)(H2627)b1711+
MFCD18192203
ZINC000027530532
ZINC27530532

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Available files

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