Vitas-M small molecule compound
(5E)-5-[4-(azepanium-1-yl)benzylidene]-1-(2,5-dimethoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL052910
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C\c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-])OC
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-31-19-11-12-22(32-2)21(16-19)28-24(30)20(23(29)26-25(28)33)15-17-7-9-18(10-8-17)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,26,29,33)/b20-15+InChIKey
OGGPICJAVSZDOZ-HMMYKYKNSA-NSynonyms
848870-46-2(5E)5(4(azepanium1yl)benzylidene)1(25dimethoxyphenyl)46dioxo1456tetrahydropyrimidine2thiolate
848870462
COc1ccc(c(c1)N1C(=NC(=O)C(=Cc2ccc(cc2)(NH+)2CCCCCC2)C1=O)(S))OC
MFCD18249500
ZINC000009411362
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