Vitas-M small molecule compound

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

Catalog ID
STL171482
SMILES N#CCOc1ccc(cc1/C=C/1\S/C(=N/c2ccc(cc2)C(=O)O)/NC1=O)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 C19H12BrN3O4S MW 458.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O4S/c20-13-3-6-15(27-8-7-21)12(9-13)10-16-17(24)23-19(28-16)22-14-4-1-11(2-5-14)18(25)26/h1-6,9-10H,8H2,(H,25,26)(H,22,23,24)/b16-10-
InChIKey
BNNSNMUCQUMSQL-YBEGLDIGSA-N
Synonyms

4(((2E5Z)5(5bromo2(cyanomethoxy)benzylidene)4oxo13thiazolidin2ylidene)amino)benzoicacid
4(((5Z)5((5bromo2(cyanomethoxy)phenyl)methylidene)4oxo13thiazol2yl)amino)benzoicacid
C1=CC(=CC=C1C(=O)O)NC2=NC(=O)C(=CC3=C(C=CC(=C3)Br)OCC#N)S2
InChI=1SC19H12BrN3O4Sc20133615(278721)12(913)101617(24)2319(2816)22144111(2514)18(25)26h16910H8H2(H2526)(H222324)b1610
MFCD04045171
N#CCOc1ccc(cc1C=C1SC(=Nc2ccc(cc2)C(=O)O)NC1=O)Br
ZINC000015931953
ZINC15931953

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Available files

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