Vitas-M small molecule compound
1-(4-chlorophenyl)-5-{[3-(4-chlorophenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[(1S,5R)-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}-4-hydroxy-6-oxo-1,6-dihydro
Catalog ID
STL528412
SMILES COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)[S-]
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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 C40H34Cl2N6O6S2 MW 829.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H34Cl2N6O6S2/c1-54-30-14-5-22(16-24(30)20-45-17-21-15-23(19-45)29-3-2-4-31(49)46(29)18-21)32(33-35(50)43-39(55)47(37(33)52)27-10-6-25(41)7-11-27)34-36(51)44-40(56)48(38(34)53)28-12-8-26(42)9-13-28/h2-14,16,21,23,32,50-51H,15,17-20H2,1H3,(H,43,InChIKey
ZMBYNKQQTPKGOA-JTHBVZDNSA-NSynonyms
1(4chlorophenyl)5((3(4chlorophenyl)6hydroxy4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(((1S5R)8oxo13568pentahydro2H15methanopyrido(12a)(15)diazocin3ium3(4H)yl)methyl)phenyl)methyl)4hydroxy6oxo16dihydro
InChI=1SC40H34Cl2N6O6S2c1543014522(1624(30)204517211523(1945)2932431(49)46(29)1821)32(3335(50)4339(55)47(37(33)52)2710625(41)71127)3436(51)4440(56)48(38(34)53)2812826(42)91328h214162123325051H151720H21H3(H4355)(H4456)t2123+m0s1
ZINC000150347874
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