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5-[(6-hydroxy-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxy-3-{[(1S)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl]methyl}phenyl)methyl]-6-oxo-1,3-diphenyl-2-thioxo-1,2,3,6-tetrahydropyrimidin

Catalog ID
STL525380
SMILES COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C52H44N6O6S2 MW 913.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H44N6O6S2/c1-64-42-26-25-34(28-36(42)32-53-29-33-27-35(31-53)41-23-14-24-43(59)54(41)30-33)44(45-47(60)55(37-15-6-2-7-16-37)51(65)56(48(45)61)38-17-8-3-9-18-38)46-49(62)57(39-19-10-4-11-20-39)52(66)58(50(46)63)40-21-12-5-13-22-40/h2-26,28,33,3
InChIKey
ZHOCWHLKCHVNGG-LRHLLKFHSA-N
Synonyms

5((6hydroxy4oxo13diphenyl2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(((1S)8oxo13568pentahydro2H15methanopyrido(12a)(15)diazocin3ium3(4H)yl)methyl)phenyl)methyl)6oxo13diphenyl2thioxo1236tetrahydropyrimidin
COc1ccc(cc1C(NH+)1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c((O))n(c2ccccc2)c(=S)n(c1=O)c1ccccc1
InChI=1SC52H44N6O6S2c16442262534(2836(42)325329332735(3153)4123142443(59)54(41)3033)44(4547(60)55(37156271637)51(65)56(48(45)61)38178391838)4649(62)57(3919104112039)52(66)58(50(46)63)4021125132240h226283335446062H272932H21H3t3335m0s1
ZINC000150477982

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Available files

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