Vitas-M small molecule compound
5-[(4,6-dihydroxy-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL149475
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1ccccc1)[S-])c1c(O)nc(=S)n(c1O)c1ccccc1
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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 C39H36N6O5S2 MW 732.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N6O5S2/c1-50-30-18-17-24(21-26(30)23-43-20-9-8-16-29(43)25-11-10-19-40-22-25)31(32-34(46)41-38(51)44(36(32)48)27-12-4-2-5-13-27)33-35(47)42-39(52)45(37(33)49)28-14-6-3-7-15-28/h2-7,10-15,17-19,21-22,29,31,46,49H,8-9,16,20,23H2,1H3,(H,41,51)InChIKey
UXGISVCLVIAHNS-UHFFFAOYSA-NSynonyms
5((46dihydroxy1phenyl2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy6oxo1phenyl16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1ccccc1)(S))c1c(O)nc(=S)n(c1O)c1ccccc1
MFCD20755612
ZINC000150392231
ZINC000150661165
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