Vitas-M small molecule compound

4-[(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile

Catalog ID
STK766541
SMILES N#Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(cn2)Cc1ccccc1

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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 C21H17N5O2 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2/c1-24-19-18(25(14-23-19)12-16-5-3-2-4-6-16)20(27)26(21(24)28)13-17-9-7-15(11-22)8-10-17/h2-10,14H,12-13H2,1H3
InChIKey
JKAUWQXFADGYBZ-UHFFFAOYSA-N
Synonyms

4((3METHYL26DIOXO7BENZYL137TRIHYDROPURINYL)METHYL)BENZENECARBONITRILE
4((7benzyl3methyl26dioxo2367tetrahydro1Hpurin1yl)methyl)benzonitrile
4((7BENZYL3METHYL26DIOXOPURIN1YL)METHYL)BENZONITRILE
CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C=N2)CC4=CC=CC=C4
InChI=1SC21H17N5O2c1241918(25(142319)12165324616)20(27)26(21(24)28)13179715(1122)81017h21014H1213H21H3
MFCD03017777
ZINC000000717356
ZINC00717356
ZINC717356

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Available files

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