Vitas-M small molecule compound

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

Catalog ID
STK781806
SMILES O=C(c1ccccc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-23-18-17(19(28)24(2)21(23)29)26(14-16(27)15-10-6-5-7-11-15)20(22-18)25-12-8-3-4-9-13-25/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKey
LZRWUNJOJNESJL-UHFFFAOYSA-N
Synonyms
476481-36-4
476481364
8(AZEPAN1YL)13DIMETHYL7(2OXO2PHENYLETHYL)1HPURINE26(3H7H)DIONE
8(azepan1yl)13dimethyl7(2oxo2phenylethyl)37dihydro1Hpurine26dione
8(AZEPAN1YL)13DIMETHYL7PHENACYLPURINE26DIONE
8AZEPAN1YL13DIMETHYL7(2OXO2PHENYLETHYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(=O)C4=CC=CC=C4
InChI=1SC21H25N5O3c1231817(19(28)24(2)21(23)29)26(1416(27)15106571115)20(2218)251283491325h571011H34891214H212H3
MFCD03933719
ZINC000000801695
ZINC00801695
ZINC801695

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Available files

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