Vitas-M small molecule compound
(2Z)-3-[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK817930
SMILES N#C/C(=C/c1cn(nc1c1ccc(c(c1)F)C)c1ccccc1)/c1nc2ccccc2c(=O)[nH]1
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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 C27H18FN5O MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN5O/c1-17-11-12-18(14-23(17)28)25-20(16-33(32-25)21-7-3-2-4-8-21)13-19(15-29)26-30-24-10-6-5-9-22(24)27(34)31-26/h2-14,16H,1H3,(H,30,31,34)/b19-13-InChIKey
SZJRLTKFIHJTPD-UYRXBGFRSA-NSynonyms
(2Z)3(3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(3fluoro4methylphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)F
InChI=1SC27H18FN5Oc117111218(1423(17)28)2520(1633(3225)217324821)1319(1529)2630241065922(24)27(34)3126h21416H1H3(H303134)b1913
MFCD04447643
N#CC(=Cc1cn(nc1c1ccc(c(c1)F)C)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000016736643
ZINC16736643
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