Vitas-M small molecule compound
(2Z)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK706897
SMILES CCCOc1cccc(c1)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 C29H23N5O2 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2/c1-2-15-36-24-12-8-9-20(17-24)27-22(19-34(33-27)23-10-4-3-5-11-23)16-21(18-30)28-31-26-14-7-6-13-25(26)29(35)32-28/h3-14,16-17,19H,2,15H2,1H3,(H,31,32,35)/b21-16-InChIKey
JGVJPGNVZZWADP-PGMHBOJBSA-NSynonyms
(2Z)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(3propoxyphenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(3propoxyphenyl)1Hpyrazol4yl)acrylonitrile
(Z)2(4oxo1Hquinazolin2yl)3(1phenyl3(3propoxyphenyl)pyrazol4yl)prop2enenitrile
CCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
CCCOc1cccc(c1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC29H23N5O2c12153624128920(1724)2722(1934(3327)23104351123)1621(1830)28312614761325(26)29(35)3228h314161719H215H21H3(H313235)b2116
MFCD06669122
ZINC000015230935
ZINC15230935
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