Vitas-M small molecule compound
(2Z)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK881057
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2ccccc2c(=O)[nH]1)/C#N)c1ccccc1
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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 C29H23N5OS MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5OS/c1-2-16-36-24-14-12-20(13-15-24)27-22(19-34(33-27)23-8-4-3-5-9-23)17-21(18-30)28-31-26-11-7-6-10-25(26)29(35)32-28/h3-15,17,19H,2,16H2,1H3,(H,31,32,35)/b21-17-InChIKey
PMAJQYYDANNPTQ-FXBPSFAMSA-NSynonyms
(2Z)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)prop2enenitrile(E)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(4(propylthio)phenyl)1Hpyrazol4yl)acrylonitrile
(Z)2(4oxo1Hquinazolin2yl)3(1phenyl3(4propylsulfanylphenyl)pyrazol4yl)prop2enenitrile
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
CCCSc1ccc(cc1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
Registry IDs
MFCD18171414ZINC000026779575
ZINC26779575
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