Vitas-M small molecule compound
4-({4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-2-hydroxybenzoic acid
Catalog ID
STL036227
SMILES O=C(Nc1ccc(c(c1)O)C(=O)O)CCCN1C(=S)S/C(=C\c2ccc(cc2)F)/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 C21H17FN2O5S2 MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O5S2/c22-13-5-3-12(4-6-13)10-17-19(27)24(21(30)31-17)9-1-2-18(26)23-14-7-8-15(20(28)29)16(25)11-14/h3-8,10-11,25H,1-2,9H2,(H,23,26)(H,28,29)/b17-10-InChIKey
PUDLPTHKLSPKBR-YVLHZVERSA-NSynonyms
4((4((5Z)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)2hydroxybenzoicacid
4(4((5Z)5((4fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoylamino)2hydroxybenzoicacid
4(4(5((4FLUOROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANOYLAMINO)2HYDROXYBENZOICACID
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O)F
InChI=1SC21H17FN2O5S2c22135312(4613)101719(27)24(21(30)3117)91218(26)23147815(20(28)29)16(25)1114h38101125H129H2(H2326)(H2829)b1710
MFCD18192379
O=C(Nc1ccc(c(c1)O)C(=O)O)CCCN1C(=S)SC(=Cc2ccc(cc2)F)C1=O
ZINC000054360701
ZINC54360701
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