Vitas-M small molecule compound
(2Z)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK817595
SMILES C=CCOc1ccc(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 C29H21N5O2 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O2/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/h2-15,17,19H,1,16H2,(H,31,32,35)/b21-17-InChIKey
KAKQYXIOTDTULE-FXBPSFAMSA-NSynonyms
(2Z)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)prop2enenitrile
(Z)2(4oxo1Hquinazolin2yl)3(1phenyl3(4prop2enoxyphenyl)pyrazol4yl)prop2enenitrile
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
C=CCOc1ccc(cc1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC29H21N5O2c12163624141220(131524)2722(1934(3327)238435923)1721(1830)28312611761025(26)29(35)3228h2151719H116H2(H313235)b2117
MFCD04447445
ZINC000016736358
ZINC16736358
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