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

Catalog ID
STL054042
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

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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 C51H44N6O5S2 MW 885.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H44N6O5S2/c1-62-42-28-27-34(31-36(42)33-53-30-15-14-26-41(53)35-17-16-29-52-32-35)43(44-46(58)54(37-18-6-2-7-19-37)50(63)55(47(44)59)38-20-8-3-9-21-38)45-48(60)56(39-22-10-4-11-23-39)51(64)57(49(45)61)40-24-12-5-13-25-40/h2-13,16-25,27-29,31-3
InChIKey
QCITUDSEKKKDDE-UHFFFAOYSA-N
Synonyms

5((4HYDROXY6OXO13DIPHENYL2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1IUM1YL)METHYL)PHENYL)METHYL)6OXO13DIPHENYL2SULFANYLIDENEPYRIMIDIN4OLATE
5((6hydroxy4oxo13diphenyl2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidin1ium1yl)methyl)phenyl)methyl)6oxo13diphenyl2thioxo1236tetrahydropyrimidin4olate
5((6hydroxy4oxo13diphenyl2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)6oxo13diphenyl2thioxo1236tetrahydropyrimidi
6HYDROXY5((4HYDROXY6OXO13DIPHENYL2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1YL)METHYL)PHENYL)METHYL)13DIPHENYL2SULFANYLIDENEPYRIMIDIN4ONE
COC1=C(C=C(C=C1)C(C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O)C5=C(N(C(=S)N(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)(O))C(NH+)8CCCCC8C9=CN=CC=C9
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c((O))n(c2ccccc2)c(=S)n(c1=O)c1ccccc1
InChI=1SC51H44N6O5S2c16242282734(3136(42)33533015142641(53)35171629523235)43(4446(58)54(37186271937)50(63)55(47(44)59)38208392138)4548(60)56(3922104112339)51(64)57(49(45)61)4024125132540h21316252729313241435860H1415263033H21H3
MFCD18249574
ZINC000150463790
ZINC000150463798

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Available files

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