Vitas-M small molecule compound

5-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]pentanenitrile

Catalog ID
STK744077
SMILES N#CCCCCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

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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 C19H21N5O2S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O2S/c1-22-16-15(17(25)23(2)19(22)26)24(13-14-9-5-3-6-10-14)18(21-16)27-12-8-4-7-11-20/h3,5-6,9-10H,4,7-8,12-13H2,1-2H3
InChIKey
RPPGQNQYHBWFQF-UHFFFAOYSA-N
Synonyms
903193-94-2
5((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)pentanenitrile
5((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)pentanenitrile
5(7BENZYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLPENTANENITRILE
903193942
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC3=CC=CC=C3
InChI=1SC19H21N5O2Sc1221615(17(25)23(2)19(22)26)24(131495361014)18(2116)27128471120h356910H4781213H212H3
MFCD08288161
ZINC000006664486
ZINC06664486
ZINC6664486

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Available files

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