Vitas-M small molecule compound
5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[4-hydroxy-1-(4-methylphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl]methyl)-6-hydroxy-1-(4-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STK558968
SMILES COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)[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 C38H41N5O5S2 MW 711.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N5O5S2/c1-22-7-12-26(13-8-22)42-34(46)30(32(44)39-36(42)49)29(31-33(45)40-37(50)43(35(31)47)27-14-9-23(2)10-15-27)24-11-16-28(48-5)25(19-24)20-41-18-6-17-38(3,4)21-41/h7-16,19,29,44,47H,6,17-18,20-21H2,1-5H3,(H,39,49)(H,40,45,50)InChIKey
IMLNQZLYCNTCRP-UHFFFAOYSA-NSynonyms
5((3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)(4hydroxy1(4methylphenyl)6oxo2sulfanyl16dihydropyrimidin5yl)methyl)6hydroxy1(4methylphenyl)4oxo14dihydropyrimidine
COc1ccc(cc1C(NH+)1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)(S)
MFCD18243155
ZINC000150445934
ZINC000150445937
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