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5-([4,6-dihydroxy-1-(2-methylphenyl)-2-thioxo-1,2-dihydropyrimidin-5-yl]{3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl)-6-hydroxy-1-(2-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate

Catalog ID
STL047399
SMILES COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(=S)n(c1O)c1ccccc1C)c1c(=O)nc(n(c1O)c1ccccc1C)[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/c1-22-11-6-8-13-26(22)42-34(46)30(32(44)39-36(42)49)29(31-33(45)40-37(50)43(35(31)47)27-14-9-7-12-23(27)2)24-15-16-28(48-5)25(19-24)20-41-18-10-17-38(3,4)21-41/h6-9,11-16,19,29,46-47H,10,17-18,20-21H2,1-5H3,(H,39,44,49)(H,40,45,50)
InChIKey
JPLZLXLDDYKNPT-UHFFFAOYSA-N
Synonyms

5((3((33DIMETHYLPIPERIDIN1IUM1YL)METHYL)4METHOXYPHENYL)(6HYDROXY1(2METHYLPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)METHYL)3(2METHYLPHENYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
5((3((33DIMETHYLPIPERIDIN1YL)METHYL)4METHOXYPHENYL)(6HYDROXY1(2METHYLPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)METHYL)6HYDROXY1(2METHYLPHENYL)2SULFANYLIDENEPYRIMIDIN4ONE
5((46dihydroxy1(2methylphenyl)2thioxo12dihydropyrimidin5yl)(3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)methyl)6hydroxy1(2methylphenyl)4oxo14dihydropyrimidine2th
CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C(NH+)4CCCC(C4)(C)C)C5=C(N(C(=S)NC5=O)C6=CC=CC=C6C)(O))O
COc1ccc(cc1C(NH+)1CCCC(C1)(C)C)C(c1c(O)nc(=S)n(c1O)c1ccccc1C)c1c(=O)nc(n(c1O)c1ccccc1C)(S)
InChI=1SC38H41N5O5S2c12211681326(22)4234(46)30(32(44)3936(42)49)29(3133(45)4037(50)43(35(31)47)2714971223(27)2)24151628(485)25(1924)204118101738(34)2141h69111619294647H1017182021H215H3(H394449)(H404550)
IOLATE
MFCD18249061
ZINC000150453184
ZINC150453184

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Available files

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