Vitas-M small molecule compound
(2Z)-3-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK824065
SMILES COc1cccc(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 C27H19N5O2 MW 445.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O2/c1-34-22-11-7-8-18(15-22)25-20(17-32(31-25)21-9-3-2-4-10-21)14-19(16-28)26-29-24-13-6-5-12-23(24)27(33)30-26/h2-15,17H,1H3,(H,29,30,33)/b19-14-InChIKey
LXIQIGLDNXJBJN-RGEXLXHISA-NSynonyms
(2Z)3(3(3methoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(3methoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(3methoxyphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
COC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
COc1cccc(c1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC27H19N5O2c13422117818(1522)2520(1732(3125)2193241021)1419(1628)26292413651223(24)27(33)3026h21517H1H3(H293033)b1914
MFCD18075903
ZINC000026779627
ZINC26779627
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