Vitas-M small molecule compound

1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK804414
SMILES OCCn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C

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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 C15H16N4O3 MW 300.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O3/c1-17-13-12(18(7-8-20)10-16-13)14(21)19(15(17)22)9-11-5-3-2-4-6-11/h2-6,10,20H,7-9H2,1H3
InChIKey
YEQVNBSVNIEWGN-UHFFFAOYSA-N
Synonyms
847846-34-8
1benzyl7(2hydroxyethyl)3methyl1Hpurine26(3H7H)dione
1benzyl7(2hydroxyethyl)3methyl37dihydro1Hpurine26dione
1BENZYL7(2HYDROXYETHYL)3METHYLPURINE26DIONE
847846348
CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CCO
InChI=1SC15H16N4O3c1171312(18(7820)101613)14(21)19(15(17)22)9115324611h261020H79H21H3
MFCD06608856
ZINC000012406620
ZINC12406620

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Available files

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