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5-[(6-hydroxy-1,3-dimethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-1,3-dimethyl-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate

Catalog ID
STK530544
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c([O-])n(C)c(=S)n(c1=O)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 C31H36N6O5S2 MW 636.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N6O5S2/c1-33-26(38)24(27(39)34(2)30(33)43)23(25-28(40)35(3)31(44)36(4)29(25)41)18-11-12-22(42-5)20(15-18)17-37-14-7-6-10-21(37)19-9-8-13-32-16-19/h8-9,11-13,15-16,21,23,38,40H,6-7,10,14,17H2,1-5H3
InChIKey
QTGGYEPVYZNWEI-UHFFFAOYSA-N
Synonyms

5((4HYDROXY13DIMETHYL6OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1IUM1YL)METHYL)PHENYL)METHYL)13DIMETHYL6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
5((6hydroxy13dimethyl4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidin1ium1yl)methyl)phenyl)methyl)13dimethyl6oxo2thioxo1236tetrahydropyrimidin4olate
5((6hydroxy13dimethyl4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)13dimethyl6oxo2thioxo1236tetrahydropyrimidi
6HYDROXY5((4HYDROXY13DIMETHYL6OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1YL)METHYL)PHENYL)METHYL)13DIMETHYL2SULFANYLIDENEPYRIMIDIN4ONE
CN1C(=C(C(=O)N(C1=S)C)C(C2=CC(=C(C=C2)OC)C(NH+)3CCCCC3C4=CN=CC=C4)C5=C(N(C(=S)N(C5=O)C)C)(O))O
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c((O))n(C)c(=S)n(c1=O)C
InChI=1SC31H36N6O5S2c13326(38)24(27(39)34(2)30(33)43)23(2528(40)35(3)31(44)36(4)29(25)41)18111222(425)20(1518)173714761021(37)199813321619h891113151621233840H67101417H215H3
MFCD18241594
ZINC000150410883
ZINC000150622232

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Available files

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