Vitas-M small molecule compound

8-(azepan-1-yl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL147155
SMILES C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCCC1

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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 C16H23N5O2 MW 317.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N5O2/c1-4-9-21-12-13(18(2)16(23)19(3)14(12)22)17-15(21)20-10-7-5-6-8-11-20/h4H,1,5-11H2,2-3H3
InChIKey
YEQLEUCUAVYKSW-UHFFFAOYSA-N
Synonyms
377062-16-3
377062163
7allyl8(azepan1yl)13dimethyl1Hpurine26(3H7H)dione
7ALLYL8(AZEPAN1YL)13DIMETHYLXANTHINE
7ALLYL8AZEPAN1YL13DIMETHYL37DIHYDROPURINE26DIONE
8(1AZEPANYL)13DIMETHYL7PROP2ENYLPURINE26DIONE
8(azepan1yl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8(AZEPAN1YL)13DIMETHYL7PROP2ENYLPURINE26DIONE
8AZAPERHYDROEPINYL13DIMETHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC=C
InChI=1SC16H23N5O2c149211213(18(2)16(23)19(3)14(12)22)1715(21)201075681120h4H1511H223H3
MFCD02227469
ZINC000000287549
ZINC00287549
ZINC287549

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Available files

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