Vitas-M small molecule compound

2-amino-8-(4-methylpiperazin-1-yl)-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one

Catalog ID
STL524756
SMILES OCC1OC(C(C1O)O)n1c(nc2c1nc(N)[nH]c2=O)N1CCN(CC1)C

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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 C15H23N7O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H23N7O5/c1-20-2-4-21(5-3-20)15-17-8-11(18-14(16)19-12(8)26)22(15)13-10(25)9(24)7(6-23)27-13/h7,9-10,13,23-25H,2-6H2,1H3,(H3,16,18,19,26)
InChIKey
HDCQGHNJHFUBMS-UHFFFAOYSA-N
Synonyms

135414707
2amino8(4methylpiperazin1yl)9pentofuranosyl19dihydro6Hpurin6one
2amino9((2R3R4S5R)34dihydroxy5(hydroxymethyl)tetrahydrofuran2yl)8(4methylpiperazin1yl)1Hpurin6(9H)onehydrochloride
2amino9(34dihydroxy5(hydroxymethyl)oxolan2yl)8(4methylpiperazin1yl)1~(H)purin6one
2AMINO9(34DIHYDROXY5(HYDROXYMETHYL)OXOLAN2YL)8(4METHYLPIPERAZIN1YL)3HPURIN6ONE
2AMINO9(34DIHYDROXY5(HYDROXYMETHYL)OXOLAN2YL)8(4METHYLPIPERAZINYL)HYDROPURIN6ONE
InChI=1SC15H23N7O5c1202421(5320)1517811(1814(16)1912(8)26)22(15)1310(25)9(24)7(623)2713h7910132325H26H21H3(H316181926)
MFCD00630596
OC(C@H)1O(C@H)((C@@H)((C@@H)1O)O)n1c(nc2c1nc(N)(nH)c2=O)N1CCN(CC1)CCl
ZINC000012657772
ZINC000239309005

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.