Vitas-M small molecule compound

8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK806217
SMILES C/C=C/Cn1c(nc2c1c(=O)[nH]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 C16H23N5O2 MW 317.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N5O2/c1-3-4-11-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20-9-7-5-6-8-10-20/h3-4H,5-11H2,1-2H3,(H,18,22,23)/b4-3+
InChIKey
HOUTXBFYHCPSEI-ONEGZZNKSA-N
Synonyms
1164545-17-8
(E)8(azepan1yl)7(but2en1yl)3methyl1Hpurine26(3H7H)dione
1164545178
7((2E)BUT2ENYL)8AZAPERHYDROEPINYL3METHYL137TRIHYDROPURINE26DIONE
8(azepan1yl)7((2E)but2en1yl)3methyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7((E)BUT2ENYL)3METHYLPURINE26DIONE
8AZEPAN1YL7((E)BUT2ENYL)3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCCC1
CC=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C
InChI=1SC16H23N5O2c13411211213(19(2)16(23)1814(12)22)1715(21)20975681020h34H511H212H3(H182223)b43+
MFCD01554401
ZINC000012343363
ZINC12343363

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Available files

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