Vitas-M small molecule compound
5-{[4,6-dihydroxy-1-(3-methylphenyl)-2-thioxo-1,2-dihydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-4-hydroxy-1-(3-methylphenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL150043
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1cccc(c1)C)[S-])c1c(O)nc(=S)n(c1O)c1cccc(c1)C
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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 C41H40N6O5S2 MW 760.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N6O5S2/c1-24-9-6-12-29(19-24)46-38(50)34(36(48)43-40(46)53)33(35-37(49)44-41(54)47(39(35)51)30-13-7-10-25(2)20-30)26-15-16-32(52-3)28(21-26)23-45-18-5-4-14-31(45)27-11-8-17-42-22-27/h6-13,15-17,19-22,31,33,48,51H,4-5,14,18,23H2,1-3H3,(H,43,InChIKey
JZXJUNKRPXRMJV-UHFFFAOYSA-NSynonyms
5((46dihydroxy1(3methylphenyl)2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy1(3methylphenyl)6oxo16dihydropyrimidine
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1cccc(c1)C)(S))c1c(O)nc(=S)n(c1O)c1cccc(c1)C
MFCD20755728
ZINC000150391742
ZINC000229819431
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