Vitas-M small molecule compound

8-(4-benzylpiperazin-1-yl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK538953
SMILES CCCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)Cc1ccccc1

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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 C26H38N6O2 MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N6O2/c1-3-4-5-6-7-8-12-15-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-18-16-30(17-19-31)20-21-13-10-9-11-14-21/h9-11,13-14H,3-8,12,15-20H2,1-2H3,(H,28,33,34)
InChIKey
MKUHVHSTZXRJRD-UHFFFAOYSA-N
Synonyms
378201-33-3
378201333
3METHYL7NONYL8(4BENZYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperazin1yl)3methyl7nonyl1Hpurine26(3H7H)dione
8(4benzylpiperazin1yl)3methyl7nonyl37dihydro1Hpurine26dione
8(4BENZYLPIPERAZIN1YL)3METHYL7NONYLPURINE26DIONE
CCCCCCCCCn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCN(CC1)Cc1ccccc1
CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C
InChI=1SC26H38N6O2c13456781215322223(29(2)26(34)2824(22)33)2725(32)31181630(171931)202113109111421h9111314H38121520H212H3(H283334)
MFCD02984177
ZINC000100692591
ZINC100692591

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Available files

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