Vitas-M small molecule compound

8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK852811
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2CCc1ccccc1)CN1CCc2c(C1)cccc2

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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 C25H27N5O2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O2/c1-27-23-22(24(31)28(2)25(27)32)30(15-12-18-8-4-3-5-9-18)21(26-23)17-29-14-13-19-10-6-7-11-20(19)16-29/h3-11H,12-17H2,1-2H3
InChIKey
WXZVNBMSSMQJAS-UHFFFAOYSA-N
Synonyms
851943-41-4
8((34dihydroisoquinolin2(1H)yl)methyl)13dimethyl7phenethyl1Hpurine26(3H7H)dione
8(34dihydro1Hisoquinolin2ylmethyl)13dimethyl7(2phenylethyl)purine26dione
8(34DIHYDRO1HISOQUINOLIN2YLMETHYL)13DIMETHYL7PHENETHYLPURINE26DIONE
8(34dihydroisoquinolin2(1H)ylmethyl)13dimethyl7(2phenylethyl)37dihydro1Hpurine26dione
851943414
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCC5=CC=CC=C5
InChI=1SC25H27N5O2c1272322(24(31)28(2)25(27)32)30(1512188435918)21(2623)172914131910671120(19)1629h311H1217H212H3
MFCD04466762
ZINC000020517479
ZINC20517479

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Available files

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