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

Catalog ID
STL046030
SMILES CCCCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)CCCC)S)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)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 C32H45N5O5S2 MW 643.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45N5O5S2/c1-6-8-15-36-28(40)24(26(38)33-30(36)43)23(25-27(39)34-31(44)37(29(25)41)16-9-7-2)20-11-12-22(42-5)21(17-20)18-35-14-10-13-32(3,4)19-35/h11-12,17,23,40-41H,6-10,13-16,18-19H2,1-5H3,(H,33,38,43)(H,34,39,44)
InChIKey
FPZURQCWGCOQOU-UHFFFAOYSA-N
Synonyms

1BUTYL5((1BUTYL6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(3((33DIMETHYLPIPERIDIN1YL)METHYL)4METHOXYPHENYL)METHYL)6HYDROXY2SULFANYLIDENEPYRIMIDIN4ONE
3butyl5((1butyl6hydroxy4oxo2sulfanyl14dihydropyrimidin5yl)(3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)methyl)6oxo2sulfanyl36dihydropyrimidin4olate
3BUTYL5((1BUTYL6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(3((33DIMETHYLPIPERIDIN1IUM1YL)METHYL)4METHOXYPHENYL)METHYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCCC(C3)(C)C)C4=C(N(C(=S)NC4=O)CCCC)O)O
CCCCn1c(S)nc(=O)c(c1(O))C(c1c(=O)nc(n(c1O)CCCC)S)c1ccc(c(c1)C(NH+)1CCCC(C1)(C)C)OC
InChI=1SC32H45N5O5S2c168153628(40)24(26(38)3330(36)43)23(2527(39)3431(44)37(29(25)41)16972)20111222(425)21(1720)183514101332(34)1935h111217234041H61013161819H215H3(H333843)(H343944)
MFCD04082071
ZINC000102879105
ZINC101669822
ZINC101669828
ZINC102879105

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Available files

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