Vitas-M small molecule compound
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK582683
SMILES O=C(c1ccccc1)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)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 C27H30N6O3 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O3/c1-29-25-24(26(35)30(2)27(29)36)33(18-22(34)21-11-7-4-8-12-21)23(28-25)19-32-15-13-31(14-16-32)17-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3InChIKey
BFLNGCVHSAEQMZ-UHFFFAOYSA-NSynonyms
851940-70-013DIMETHYL7(2OXO2PHENYLETHYL)8((4BENZYLPIPERAZINYL)METHYL)137TRIHYDROPURINE26DIONE
8((4benzylpiperazin1yl)methyl)13dimethyl7(2oxo2phenylethyl)1Hpurine26(3H7H)dione
8((4benzylpiperazin1yl)methyl)13dimethyl7(2oxo2phenylethyl)37dihydro1Hpurine26dione
8((4BENZYLPIPERAZIN1YL)METHYL)13DIMETHYL7PHENACYLPURINE26DIONE
851940700
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5
InChI=1SC27H30N6O3c1292524(26(35)30(2)27(29)36)33(1822(34)21117481221)23(2825)1932151331(141632)172095361020h312H1319H212H3
MFCD04466548
ZINC000020533187
ZINC20533187
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