Vitas-M small molecule compound

ethyl 4-({4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate

Catalog ID
STK918488
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)S/C(=C/c2ccco2)/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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-2-27-20(26)14-7-9-15(10-8-14)22-18(24)6-3-11-23-19(25)17(30-21(23)29)13-16-5-4-12-28-16/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,22,24)/b17-13+
InChIKey
OPWGAXRLWLJCDD-GHRIWEEISA-N
Synonyms
637319-01-8
637319018
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=CO3)SC2=S
CCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)SC(=Cc2ccco2)C1=O
ethyl4((4((5E)5(furan2ylmethylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)benzoate
ETHYL4(4((5E)5(FURAN2YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
ETHYL4(4(5(2FURYLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
InChI=1SC21H20N2O5S2c122720(26)147915(10814)2218(24)63112319(25)17(3021(23)29)131654122816h457101213H23611H21H3(H2224)b1713+
MFCD04423523
ZINC000009444405
ZINC09444405
ZINC9444405

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Available files

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