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

Catalog ID
STL048226
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)Cl)c1c(=O)[nH]c(=S)n(c1[O-])c1cccc(c1)Cl

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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 C39H34Cl2N6O5S2 MW 801.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H34Cl2N6O5S2/c1-52-30-14-13-22(17-24(30)21-45-16-3-2-12-29(45)23-7-6-15-42-20-23)31(32-34(48)43-38(53)46(36(32)50)27-10-4-8-25(40)18-27)33-35(49)44-39(54)47(37(33)51)28-11-5-9-26(41)19-28/h4-11,13-15,17-20,29,31,50-51H,2-3,12,16,21H2,1H3,(H,43
InChIKey
LPHPRRNSVNRWIA-UHFFFAOYSA-N
Synonyms

1(3CHLOROPHENYL)5((1(3CHLOROPHENYL)6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1YL)METHYL)PHENYL)METHYL)6HYDROXY2SULFANYLIDENEPYRIMIDIN4ONE
3(3CHLOROPHENYL)5((1(3CHLOROPHENYL)6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1IUM1YL)METHYL)PHENYL)METHYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
3(3chlorophenyl)5((1(3chlorophenyl)6hydroxy4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidin1ium1yl)methyl)phenyl)methyl)6oxo2thioxo1236tetrahydropyrimidin4olate
3(3chlorophenyl)5((1(3chlorophenyl)6hydroxy4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)6oxo2thioxo1236tetrah
COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3=CC(=CC=C3)Cl)O)C4=C(N(C(=S)NC4=O)C5=CC(=CC=C5)Cl)(O))C(NH+)6CCCCC6C7=CN=CC=C7
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(=O)(nH)c(=S)n(c1O)c1cccc(c1)Cl)c1c(=O)(nH)c(=S)n(c1(O))c1cccc(c1)Cl
InChI=1SC39H34Cl2N6O5S2c15230141322(1724(30)214516321229(45)237615422023)31(3234(48)4338(53)46(36(32)50)27104825(40)1827)3335(49)4439(54)47(37(33)51)28115926(41)1928h4111315172029315051H23121621H21H3(H434853)(H444954)
MFCD18249181
ZINC000150454447
ZINC000150454453

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Available files

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