Vitas-M small molecule compound

(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile

Catalog ID
STK743539
SMILES N#CCn1cnc2c1c(=O)n(C)c(=O)n2C

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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 C9H9N5O2 MW 219.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,4H2,1-2H3
InChIKey
JKVAWOOMPGXBKF-UHFFFAOYSA-N
Synonyms
39908-33-3
(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetonitrile
2(13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ETHANENITRILE
2(13DIMETHYL26DIOXOPURIN7YL)ACETONITRILE
39908333
7CYANOMETHYL13DIMETHYLXANTHINE
7CYANOMETHYLTHEOPHYLLINE
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#N
InChI=1SC9H9N5O2c11276(8(15)13(2)9(12)16)14(4310)5117h5H4H212H3
MFCD01694480
ZINC000000033452
ZINC00033452
ZINC33452

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Available files

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