Vitas-M small molecule compound

4-{[(2E,5Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

Catalog ID
STK553035
SMILES CCOc1cc(/C=C/2\S/C(=N/c3ccc(cc3)C(=O)O)/N(C2=O)CC)cc(c1O)Br

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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 C21H19BrN2O5S MW 491.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O5S/c1-3-24-19(26)17(11-12-9-15(22)18(25)16(10-12)29-4-2)30-21(24)23-14-7-5-13(6-8-14)20(27)28/h5-11,25H,3-4H2,1-2H3,(H,27,28)/b17-11-,23-21+
InChIKey
VXFBMIPUCQOIIY-QIHNDPBESA-N
Synonyms
799818-60-3
4(((2E5Z)5(3bromo5ethoxy4hydroxybenzylidene)3ethyl4oxo13thiazolidin2ylidene)amino)benzoicacid
4((E)((Z)5(3bromo5ethoxy4hydroxybenzylidene)3ethyl4oxothiazolidin2ylidene)amino)benzoicacid
799818603
CCOc1cc(C=C2SC(=Nc3ccc(cc3)C(=O)O)N(C2=O)CC)cc(c1O)Br
MFCD03681616
ZINC000072189899

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Available files

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