Vitas-M small molecule compound

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

Catalog ID
STK840428
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)CCCc1ccccc1)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 C24H27N5O2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2/c1-27-21-20(22(30)28(2)24(27)31)29(17-9-14-18-10-5-3-6-11-18)23(26-21)25-16-15-19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3,(H,25,26)
InChIKey
CBKHFTIKKJOFHI-UHFFFAOYSA-N
Synonyms

13DIMETHYL8((2PHENYLETHYL)AMINO)7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
13dimethyl8((2phenylethyl)amino)7(3phenylpropyl)37dihydro1Hpurine26dione
13dimethyl8(2phenylethylamino)7(3phenylpropyl)purine26dione
13dimethyl8(phenethylamino)7(3phenylpropyl)1Hpurine26(3H7H)dione
13DIMETHYL8(PHENETHYLAMINO)7(3PHENYLPROPYL)PURINE26DIONE
13DIMETHYL8PHENETHYLAMINO7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4
InChI=1SC24H27N5O2c1272120(22(30)28(2)24(27)31)29(1791418105361118)23(2621)25161519127481319h381013H91417H212H3(H2526)
MFCD02983691
ZINC000000637488
ZINC00637488
ZINC637488

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Available files

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