Vitas-M small molecule compound
(2Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK706614
SMILES CCOc1ccc(cc1Cl)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 C28H20ClN5O2 MW 493.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O2/c1-2-36-25-13-12-18(15-23(25)29)26-20(17-34(33-26)21-8-4-3-5-9-21)14-19(16-30)27-31-24-11-7-6-10-22(24)28(35)32-27/h3-15,17H,2H2,1H3,(H,31,32,35)/b19-14-InChIKey
HYPSVRZTEBWLKO-RGEXLXHISA-NSynonyms
(2Z)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)Cl
CCOc1ccc(cc1Cl)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC28H20ClN5O2c123625131218(1523(25)29)2620(1734(3326)218435921)1419(1630)27312411761022(24)28(35)3227h31517H2H21H3(H313235)b1914
MFCD13371140
ZINC000026779573
ZINC26779573
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