Vitas-M small molecule compound
(2S,3R,5S)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-((diphenylcarbamoyl)oxy)-2-isobutyramido-9H-purin-9-yl)tetrahydrofuran-3-yl benzoate
Catalog ID
STL565039
SMILES COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@@H]1O[C@@H](CC1OC(=O)c1ccccc1)n1cnc2c1nc(NC(=O)C(C)C)nc2OC(=O)N(c1ccccc1)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 C55H50N6O9 MW 939.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C55H50N6O9/c1-36(2)50(62)58-53-57-49-48(51(59-53)70-54(64)61(41-21-13-7-14-22-41)42-23-15-8-16-24-42)56-35-60(49)47-33-45(69-52(63)37-17-9-5-10-18-37)46(68-47)34-67-55(38-19-11-6-12-20-38,39-25-29-43(65-3)30-26-39)40-27-31-44(66-4)32-28-40/h5-32,InChIKey
XRTDKHUDRQAOMU-ZWEGDWOZSA-NSynonyms
((2S5S)2((bis(4methoxyphenyl)phenylmethoxy)methyl)5(6(diphenylcarbamoyloxy)2(2methylpropanoylamino)purin9yl)oxolan3yl)benzoate
(2S3R5S)2((bis(4methoxyphenyl)(phenyl)methoxy)methyl)5(6((diphenylcarbamoyl)oxy)2isobutyramido9Hpurin9yl)tetrahydrofuran3ylbenzoate
16395470
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC(C@@H)1O(C@@H)(CC1OC(=O)c1ccccc1)n1cnc2c1nc(NC(=O)C(C)C)nc2OC(=O)N(c1ccccc1)c1ccccc1
InChI=1SC55H50N6O9c136(2)50(62)5853574948(51(5953)7054(64)61(4121137142241)4223158162442)563560(49)473345(6952(63)371795101837)46(6847)346755(381911612203839252943(653)302639)40273144(664)322840h53235364547H3334H214H3(H57585962)t45?4647m0s1
ZINC000150345884
ZINC000150345888
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.