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

Catalog ID
STL148148
SMILES CCCCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)CCCC)S)c1ccc(c(c1)C[NH+]1CCN(CC1)c1ccccc1OC)OC

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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 C36H46N6O6S2 MW 722.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H46N6O6S2/c1-5-7-15-41-33(45)29(31(43)37-35(41)49)28(30-32(44)38-36(50)42(34(30)46)16-8-6-2)23-13-14-26(47-3)24(21-23)22-39-17-19-40(20-18-39)25-11-9-10-12-27(25)48-4/h9-14,21,28,45-46H,5-8,15-20,22H2,1-4H3,(H,37,43,49)(H,38,44,50)
InChIKey
STPUFGVXILZUMF-UHFFFAOYSA-N
Synonyms

1BUTYL5((1BUTYL6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((4(2METHOXYPHENYL)PIPERAZIN1YL)METHYL)PHENYL)METHYL)6HYDROXY2SULFANYLIDENEPYRIMIDIN4ONE
3butyl5((1butyl6hydroxy4oxo2sulfanyl14dihydropyrimidin5yl)(4methoxy3((4(2methoxyphenyl)piperazin1ium1yl)methyl)phenyl)methyl)6oxo2sulfanyl36dihydropyrimidin4olate
3BUTYL5((1BUTYL6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((4(2METHOXYPHENYL)PIPERAZIN1IUM1YL)METHYL)PHENYL)METHYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C(NH+)3CCN(CC3)C4=CC=CC=C4OC)C5=C(N(C(=S)NC5=O)CCCC)(O))O
CCCCn1c(S)nc(=O)c(c1(O))C(c1c(=O)nc(n(c1O)CCCC)S)c1ccc(c(c1)C(NH+)1CCN(CC1)c1ccccc1OC)OC
InChI=1SC36H46N6O6S2c157154133(45)29(31(43)3735(41)49)28(3032(44)3836(50)42(34(30)46)16862)23131426(473)24(2123)2239171940(201839)25119101227(25)484h91421284546H58152022H214H3(H374349)(H384450)
MFCD04074281
ZINC000150390599
ZINC150390599

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Available files

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