Vitas-M small molecule compound
(5E)-1-(2-methoxyphenyl)-5-({[2-(morpholin-4-ium-4-yl)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK567578
SMILES COc1ccccc1N1C(=NC(=O)/C(=C\Nc2ccccc2[NH+]2CCOCC2)/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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-29-19-9-5-4-8-18(19)26-21(28)15(20(27)24-22(26)31)14-23-16-6-2-3-7-17(16)25-10-12-30-13-11-25/h2-9,14,23H,10-13H2,1H3,(H,24,27,31)/b15-14+InChIKey
QWUNISDVQDLPKH-CCEZHUSRSA-NSynonyms
(5E)1(2methoxyphenyl)5(((2(morpholin4ium4yl)phenyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
COc1ccccc1N1C(=NC(=O)C(=CNc2ccccc2(NH+)2CCOCC2)C1=O)(S)
MFCD18245162
ZINC000017251261
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