Vitas-M small molecule compound

4-({(2E,5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid

Catalog ID
STK743072
SMILES CCOc1cc(ccc1OCC#C)/C=C/1\S/C(=N/c2ccc(cc2)C(=O)O)/N(C1=O)CC

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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 C24H22N2O5S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5S/c1-4-13-31-19-12-7-16(14-20(19)30-6-3)15-21-22(27)26(5-2)24(32-21)25-18-10-8-17(9-11-18)23(28)29/h1,7-12,14-15H,5-6,13H2,2-3H3,(H,28,29)/b21-15-,25-24+
InChIKey
WHJNYPJBINLSIP-AULJNTNUSA-N
Synonyms
675193-24-5
4(((2E5Z)5(3ethoxy4(prop2yn1yloxy)benzylidene)3ethyl4oxo13thiazolidin2ylidene)amino)benzoicacid
4((E)((Z)5(3ethoxy4(prop2yn1yloxy)benzylidene)3ethyl4oxothiazolidin2ylidene)amino)benzoicacid
675193245
CCOc1cc(ccc1OCC#C)C=C1SC(=Nc2ccc(cc2)C(=O)O)N(C1=O)CC
MFCD03678098
ZINC000100323432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.