Vitas-M small molecule compound

8-(benzylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK039206
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1cccc2c1cccc2)NCc1ccccc1

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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 C25H23N5O2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O2/c1-28-22-21(23(31)29(2)25(28)32)30(24(27-22)26-15-17-9-4-3-5-10-17)16-19-13-8-12-18-11-6-7-14-20(18)19/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKey
MOBJKYILRNQICV-UHFFFAOYSA-N
Synonyms
309938-24-7
309938247
8(BENZYLAMINO)13DIMETHYL7(NAPHTHALEN1YLMETHYL)1HPURINE26(3H7H)DIONE
8(BENZYLAMINO)13DIMETHYL7(NAPHTHALEN1YLMETHYL)37DIHYDRO1HPURINE26DIONE
8(BENZYLAMINO)13DIMETHYL7(NAPHTHALEN1YLMETHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54
InChI=1SC25H23N5O2c1282221(23(31)29(2)25(28)32)30(24(2722)26151794351017)1619138121811671420(18)19h314H1516H212H3(H2627)
MFCD02086978
O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1cccc2c1cccc2)NCc1ccccc1
STK039206
ZINC000002420016
ZINC02420016
ZINC2420016

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Available files

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