Vitas-M small molecule compound

4-[({(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl]methylidene}amino)methyl]benzoic acid

Catalog ID
STK130707
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)C(C1=O)/C=N/Cc1ccc(cc1)C(=O)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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-12-2-8-15(9-3-12)23-18(25)16(17(24)22-20(23)28)11-21-10-13-4-6-14(7-5-13)19(26)27/h2-9,11,16H,10H2,1H3,(H,26,27)(H,22,24,28)/b21-11+
InChIKey
AJYGNBPWKKJFBZ-SRZZPIQSSA-N
Synonyms

4((((E)(1(4methylphenyl)46dioxo2thioxohexahydropyrimidin5yl)methylidene)amino)methyl)benzoicacid
Cc1ccc(cc1)N1C(=S)NC(=O)C(C1=O)C=NCc1ccc(cc1)C(=O)O
MFCD03167317
ZINC000004700831
ZINC000004700832

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Available files

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