Vitas-M small molecule compound

8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK564744
SMILES Cn1c(=O)nc(c2c1nc(n2CCCc1ccccc1)N1CCN(CC1)Cc1ccccc1)O

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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 C26H30N6O2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O2/c1-29-23-22(24(33)28-26(29)34)32(14-8-13-20-9-4-2-5-10-20)25(27-23)31-17-15-30(16-18-31)19-21-11-6-3-7-12-21/h2-7,9-12H,8,13-19H2,1H3,(H,28,33,34)
InChIKey
OQIFEGYZIUMSEZ-UHFFFAOYSA-N
Synonyms
378204-17-2
378204172
3METHYL8(4BENZYLPIPERAZINYL)7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
8(4BENZYLPIPERAZIN1YL)3METHYL7(3PHENYLPROPYL)1HPURINE26(3H7H)DIONE
8(4BENZYLPIPERAZIN1YL)3METHYL7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
8(4BENZYLPIPERAZIN1YL)3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8(4benzylpiperazin1yl)6hydroxy3methyl7(3phenylpropyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCCC5=CC=CC=C5
InChI=1SC26H30N6O2c1292322(24(33)2826(29)34)32(148132094251020)25(2723)31171530(161831)1921116371221h27912H81319H21H3(H283334)
MFCD03802807
ZINC000055560062
ZINC55560062

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Available files

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