Vitas-M small molecule compound

8-(azepan-1-yl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL320754
SMILES O=c1[nH]c(=O)n(c2c1n(CCCc1ccccc1)c(n2)N1CCCCCC1)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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-24-18-17(19(27)23-21(24)28)26(15-9-12-16-10-5-4-6-11-16)20(22-18)25-13-7-2-3-8-14-25/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,23,27,28)
InChIKey
VADWKEKAOJQOHZ-UHFFFAOYSA-N
Synonyms
326918-93-8
326918938
8(azepan1yl)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8(azepan1yl)3methyl7(3phenylpropyl)37dihydro1Hpurine26dione
8(AZEPAN1YL)3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8AZAPERHYDROEPINYL3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
8AZEPAN1YL3METHYL7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCC4=CC=CC=C4
InChI=1SC21H27N5O2c1241817(19(27)2321(24)28)26(1591216105461116)20(2218)251372381425h461011H23791215H21H3(H232728)
MFCD01032192
O=c1(nH)c(=O)n(c2c1n(CCCc1ccccc1)c(n2)N1CCCCCC1)C
ZINC000000842296
ZINC00842296
ZINC842296

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Available files

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