Vitas-M small molecule compound

3-{[(4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile

Catalog ID
STL106488
SMILES CCCCCn1c(SCc2cccc(c2)C#N)nc2c(c1=O)cccc2

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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 C21H21N3OS MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS/c1-2-3-6-12-24-20(25)18-10-4-5-11-19(18)23-21(24)26-15-17-9-7-8-16(13-17)14-22/h4-5,7-11,13H,2-3,6,12,15H2,1H3
InChIKey
YIPKLWQYICXSLD-UHFFFAOYSA-N
Synonyms

3(((4oxo3pentyl34dihydroquinazolin2yl)sulfanyl)methyl)benzonitrile
3((4oxo3pentylquinazolin2yl)sulfanylmethyl)benzonitrile
CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N
InChI=1SC21H21N3OSc1236122420(25)1810451119(18)2321(24)26151797816(1317)1422h4571113H2361215H21H3
MFCD20737800
ZINC000067259011
ZINC67259011

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Available files

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