Vitas-M small molecule compound

4-{[(2E,5Z)-5-{2-[(2-cyanobenzyl)oxy]benzylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

Catalog ID
STK743075
SMILES CCN1/C(=N\c2ccc(cc2)C(=O)O)/S/C(=C\c2ccccc2OCc2ccccc2C#N)/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 C27H21N3O4S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4S/c1-2-30-25(31)24(35-27(30)29-22-13-11-18(12-14-22)26(32)33)15-19-7-5-6-10-23(19)34-17-21-9-4-3-8-20(21)16-28/h3-15H,2,17H2,1H3,(H,32,33)/b24-15-,29-27+
InChIKey
XKBHJGJUASSFGU-KOAGXIKISA-N
Synonyms
675193-29-0
4(((2E5Z)5(2((2cyanobenzyl)oxy)benzylidene)3ethyl4oxo13thiazolidin2ylidene)amino)benzoicacid
4((E)((Z)5(2((2cyanobenzyl)oxy)benzylidene)3ethyl4oxothiazolidin2ylidene)amino)benzoicacid
675193290
CCN1C(=Nc2ccc(cc2)C(=O)O)SC(=Cc2ccccc2OCc2ccccc2C#N)C1=O
MFCD03681965
ZINC000100309939

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Available files

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