Vitas-M small molecule compound

8-(2-fluorophenoxy)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL388635
SMILES CCCn1c(Oc2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

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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 C16H17FN4O3 MW 332.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17FN4O3/c1-4-9-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-11-8-6-5-7-10(11)17/h5-8H,4,9H2,1-3H3
InChIKey
AVDJPTMIVRRWEN-UHFFFAOYSA-N
Synonyms

8(2fluorophenoxy)13dimethyl7propyl37dihydro1Hpurine26dione
8(2FLUOROPHENOXY)13DIMETHYL7PROPYL37DIHYDROPURINE26DIONE
8(2FLUOROPHENOXY)13DIMETHYL7PROPYLPURINE26DIONE
CCCN1C2=C(N=C1OC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C
InChI=1SC16H17FN4O3c149211213(19(2)16(23)20(3)14(12)22)1815(21)2411865710(11)17h58H49H213H3
MFCD07396190
ZINC000004386643
ZINC04386643
ZINC4386643

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Available files

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