Vitas-M small molecule compound

7-benzyl-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK034827
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)NCCc1ccccc1

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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 C22H23N5O2 MW 389.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2/c1-25-19-18(20(28)26(2)22(25)29)27(15-17-11-7-4-8-12-17)21(24-19)23-14-13-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3,(H,23,24)
InChIKey
RITMCBIAGVNBMU-UHFFFAOYSA-N
Synonyms
359905-31-0
13DIMETHYL8((2PHENYLETHYL)AMINO)7BENZYL137TRIHYDROPURINE26DIONE
359905310
7BENZYL13DIMETHYL8((2PHENYLETHYL)AMINO)37DIHYDRO1HPURINE26DIONE
7benzyl13dimethyl8(2phenylethylamino)purine26dione
7BENZYL13DIMETHYL8(PHENETHYLAMINO)1HPURINE26(3H7H)DIONE
7BENZYL13DIMETHYL8(PHENETHYLAMINO)37DIHYDRO1HPURINE26DIONE
7BENZYL13DIMETHYL8(PHENETHYLAMINO)PURINE26DIONE
7BENZYL13DIMETHYL8PHENETHYLAMINO37DIHYDROPURINE26DIONE
Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)NCCc1ccccc1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC22H23N5O2c1251918(20(28)26(2)22(25)29)27(1517117481217)21(2419)2314131695361016h312H1315H212H3(H2324)
MFCD02229862
STK034827
ZINC000000629168
ZINC00629168
ZINC629168

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Available files

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