Vitas-M small molecule compound
(1S)-3-(5-{bis[4-hydroxy-6-oxo-1-phenyl-2-(phenylamino)-1,6-dihydropyrimidin-5-yl]methyl}-2-methoxybenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL525699
SMILES COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1
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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 C52H46N8O6 MW 878.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H46N8O6/c1-66-42-26-25-34(28-36(42)32-57-29-33-27-35(31-57)41-23-14-24-43(61)58(41)30-33)44(45-47(62)55-51(53-37-15-6-2-7-16-37)59(49(45)64)39-19-10-4-11-20-39)46-48(63)56-52(54-38-17-8-3-9-18-38)60(50(46)65)40-21-12-5-13-22-40/h2-26,28,33,35,InChIKey
CXHKRTTXGLJEHA-LRHLLKFHSA-NSynonyms
(1S)3(5(bis(4hydroxy6oxo1phenyl2(phenylamino)16dihydropyrimidin5yl)methyl)2methoxybenzyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
55((4methoxy3(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)phenyl)methylene)bis(6hydroxy3phenyl2(phenylamino)pyrimidin4(3H)one)
COc1ccc(cc1CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C(c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1
InChI=1SC52H46N8O6c16642262534(2836(42)325729332735(3157)4123142443(61)58(41)3033)44(4547(62)5551(5337156271637)59(49(45)64)3919104112039)4648(63)5652(5438178391838)60(50(46)65)4021125132240h226283335446263H272932H21H3(H5355)(H5456)t3335m0s1
ZINC000150474758
Check stock
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Check stock on Vitas-MAvailable files
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