Vitas-M small molecule compound

7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK563091
SMILES CC1CCN(CC1)c1nc2c(n1CCSc1nc3c([nH]1)cccc3)c(O)nc(=O)n2C

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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 C21H25N7O2S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O2S/c1-13-7-9-27(10-8-13)20-24-17-16(18(29)25-21(30)26(17)2)28(20)11-12-31-19-22-14-5-3-4-6-15(14)23-19/h3-6,13H,7-12H2,1-2H3,(H,22,23)(H,25,29,30)
InChIKey
QGNFHRRZMVILLJ-UHFFFAOYSA-N
Synonyms
476482-79-8
476482798
7(2((1HBENZO(D)IMIDAZOL2YL)THIO)ETHYL)3METHYL8(4METHYLPIPERIDIN1YL)1HPURINE26(3H7H)DIONE
7(2(1HBENZIMIDAZOL2YLSULFANYL)ETHYL)3METHYL8(4METHYLPIPERIDIN1YL)PURINE26DIONE
7(2(1Hbenzimidazol2ylsulfanyl)ethyl)6hydroxy3methyl8(4methylpiperidin1yl)37dihydro2Hpurin2one
7(2BENZIMIDAZOL2YLTHIOETHYL)3METHYL8(4METHYLPIPERIDYL)137TRIHYDROPURINE26DIONE
CC1CCN(CC1)c1nc2c(n1CCSc1nc3c((nH)1)cccc3)c(O)nc(=O)n2C
CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5N4)C(=O)NC(=O)N3C
InChI=1SC21H25N7O2Sc1137927(10813)20241716(18(29)2521(30)26(17)2)28(20)111231192214534615(14)2319h3613H712H212H3(H2223)(H252930)
MFCD03799022
ZINC000000796605
ZINC00796605
ZINC796605

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Available files

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