Vitas-M small molecule compound
(2Z)-3-(3-{3-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK706834
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)OCc1ccccc1Cl)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 C33H22ClN5O2 MW 556.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22ClN5O2/c34-29-15-6-4-9-23(29)21-41-27-13-8-10-22(18-27)31-25(20-39(38-31)26-11-2-1-3-12-26)17-24(19-35)32-36-30-16-7-5-14-28(30)33(40)37-32/h1-18,20H,21H2,(H,36,37,40)/b24-17-InChIKey
SDKFLBXWBSZHKG-ULJHMMPZSA-NSynonyms
(2Z)3(3(3((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(3((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(3((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4Cl)C=C(C#N)C5=NC(=O)C6=CC=CC=C6N5
InChI=1SC33H22ClN5O2c34291564923(29)2141271381022(1827)3125(2039(3831)26112131226)1724(1935)32363016751428(30)33(40)3732h11820H21H2(H363740)b2417
MFCD13371152
N#CC(=Cc1cn(nc1c1cccc(c1)OCc1ccccc1Cl)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097947247
ZINC97947247
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