Vitas-M small molecule compound

7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK578741
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1ccccc1)CN1CCN(CC1)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 C25H28N6O2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O2/c1-27-23-22(24(32)28(2)25(27)33)31(17-19-9-5-3-6-10-19)21(26-23)18-29-13-15-30(16-14-29)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3
InChIKey
XEMSRLPOPZUSIG-UHFFFAOYSA-N
Synonyms
839680-37-4
13DIMETHYL7BENZYL8((4PHENYLPIPERAZINYL)METHYL)137TRIHYDROPURINE26DIONE
7benzyl13dimethyl8((4phenylpiperazin1yl)methyl)1Hpurine26(3H7H)dione
7benzyl13dimethyl8((4phenylpiperazin1yl)methyl)37dihydro1Hpurine26dione
7BENZYL13DIMETHYL8((4PHENYLPIPERAZIN1YL)METHYL)PURINE26DIONE
839680374
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC25H28N6O2c1272322(24(32)28(2)25(27)33)31(171995361019)21(2623)1829131530(161429)20117481220h312H1318H212H3
MFCD04466280
ZINC000055560077
ZINC55560077

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Available files

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