Vitas-M small molecule compound
5-hydroxy-2-({[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoic acid
Catalog ID
STK584543
SMILES O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)S/C(=C/c2cccs2)/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 C17H12N2O5S3 MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O5S3/c20-9-3-4-12(11(6-9)16(23)24)18-14(21)8-19-15(22)13(27-17(19)25)7-10-2-1-5-26-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7+InChIKey
XHZNMSCTPBYCRY-NTUHNPAUSA-NSynonyms
902019-64-1(E)5hydroxy2(2(4oxo5(thiophen2ylmethylene)2thioxothiazolidin3yl)acetamido)benzoicacid
5hydroxy2((((5E)4oxo5(thiophen2ylmethylidene)2thioxo13thiazolidin3yl)acetyl)amino)benzoicacid
5hydroxy2((2((5E)4oxo2sulfanylidene5(thiophen2ylmethylidene)13thiazolidin3yl)acetyl)amino)benzoicacid
902019641
C1=CSC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=C(C=C(C=C3)O)C(=O)O
InChI=1SC17H12N2O5S3c2093412(11(69)16(23)24)1814(21)81915(22)13(2717(19)25)7102152610h1720H8H2(H1821)(H2324)b137+
MFCD06786623
O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)SC(=Cc2cccs2)C1=O
ZINC000009253510
ZINC9253510
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