Vitas-M small molecule compound
4-[(3-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]benzoic acid
Catalog ID
STK994364
SMILES O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=S)S/C(=C/C(=C/c2ccccc2)/C)/C1=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 C23H20N2O4S2 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S2/c1-15(13-16-5-3-2-4-6-16)14-19-21(27)25(23(30)31-19)12-11-20(26)24-18-9-7-17(8-10-18)22(28)29/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H,28,29)/b15-13+,19-14+InChIKey
DKCHGTLMMWWRBC-OIXOFKMYSA-NSynonyms
4((3((5E)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
4(3((5E)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC23H20N2O4S2c115(13165324616)141921(27)25(23(30)3119)121120(26)24189717(81018)22(28)29h2101314H1112H21H3(H2426)(H2829)b1513+1914+
MFCD18185070
O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O
ZINC000033373219
ZINC33373219
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