Vitas-M small molecule compound
(5E)-5-[4-(azepanium-1-yl)benzylidene]-1-(3-chlorophenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL056732
SMILES Clc1cccc(c1)N1C(=NC(=O)/C(=C\c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-]
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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 C23H22ClN3O2S MW 439.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O2S/c24-17-6-5-7-19(15-17)27-22(29)20(21(28)25-23(27)30)14-16-8-10-18(11-9-16)26-12-3-1-2-4-13-26/h5-11,14-15H,1-4,12-13H2,(H,25,28,30)/b20-14+InChIKey
HLBBOBGVULQHIS-XSFVSMFZSA-NSynonyms
849910-38-9(5E)5(4(azepanium1yl)benzylidene)1(3chlorophenyl)46dioxo1456tetrahydropyrimidine2thiolate
849910389
Clc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(cc2)(NH+)2CCCCCC2)C1=O)(S)
MFCD18249761
ZINC000001237247
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