Vitas-M small molecule compound

3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propanenitrile

Catalog ID
STL322728
SMILES N#CCCn1c(=O)n(C)c2c(c1=O)n(CC(C)C)c(n2)Br

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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 C13H16BrN5O2 MW 354.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16BrN5O2/c1-8(2)7-19-9-10(16-12(19)14)17(3)13(21)18(11(9)20)6-4-5-15/h8H,4,6-7H2,1-3H3
InChIKey
GHZUPRCYXLKCHY-UHFFFAOYSA-N
Synonyms
327100-61-8
3(8bromo3methyl7(2methylpropyl)26dioxo2367tetrahydro1Hpurin1yl)propanenitrile
3(8BROMO3METHYL7(2METHYLPROPYL)26DIOXOPURIN1YL)PROPANENITRILE
3(8bromo7isobutyl3methyl26dioxo2367tetrahydro1Hpurin1yl)propanenitrile
327100618
CC(C)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC#N)C
InChI=1SC13H16BrN5O2c18(2)719910(1612(19)14)17(3)13(21)18(11(9)20)64515h8H467H213H3
MFCD01554803
ZINC000013116294
ZINC13116294

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Available files

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