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5-{[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(2-methylphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate

Catalog ID
STK558906
SMILES COc1ccc(cc1C[NH+]1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1ccccc1C)S)c1c(=O)nc(n(c1[O-])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 C42H42N6O6S2 MW 790.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N6O6S2/c1-25-11-5-7-13-29(25)47-39(51)35(37(49)43-41(47)55)34(36-38(50)44-42(56)48(40(36)52)30-14-8-6-12-26(30)2)27-17-18-32(53-3)28(23-27)24-45-19-21-46(22-20-45)31-15-9-10-16-33(31)54-4/h5-18,23,34,51-52H,19-22,24H2,1-4H3,(H,43,49,55)(H,4
InChIKey
JHXXHRGBCRVUQT-UHFFFAOYSA-N
Synonyms

5((6hydroxy1(2methylphenyl)4oxo2sulfanyl14dihydropyrimidin5yl)(4methoxy3((4(2methoxyphenyl)piperazin1ium1yl)methyl)phenyl)methyl)3(2methylphenyl)6oxo2sulfanyl36dihydro
5((6HYDROXY1(2METHYLPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((4(2METHOXYPHENYL)PIPERAZIN1IUM1YL)METHYL)PHENYL)METHYL)3(2METHYLPHENYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
6HYDROXY5((6HYDROXY1(2METHYLPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((4(2METHOXYPHENYL)PIPERAZIN1YL)METHYL)PHENYL)METHYL)1(2METHYLPHENYL)2SULFANYLIDENEPYRIMIDIN4ONE
CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C(NH+)4CCN(CC4)C5=CC=CC=C5OC)C6=C(N(C(=S)NC6=O)C7=CC=CC=C7C)(O))O
COc1ccc(cc1C(NH+)1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1ccccc1C)S)c1c(=O)nc(n(c1(O))c1ccccc1C)S
InChI=1SC42H42N6O6S2c12511571329(25)4739(51)35(37(49)4341(47)55)34(3638(50)4442(56)48(40(36)52)3014861226(30)2)27171832(533)28(2327)2445192146(222045)31159101633(31)544h51823345152H192224H214H3(H434955)(H445056)
MFCD04076420
ZINC000150445367
ZINC150445367

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Available files

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