Vitas-M small molecule compound
(2Z)-3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK706793
SMILES CCCCOc1cccc(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 C30H25N5O2 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O2/c1-2-3-16-37-25-13-9-10-21(18-25)28-23(20-35(34-28)24-11-5-4-6-12-24)17-22(19-31)29-32-27-15-8-7-14-26(27)30(36)33-29/h4-15,17-18,20H,2-3,16H2,1H3,(H,32,33,36)/b22-17-InChIKey
UVHBAUDLXYCFHA-XLNRJJMWSA-NSynonyms
(2Z)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(3butoxyphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
CCCCOc1cccc(c1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC30H25N5O2c1231637251391021(1825)2823(2035(3428)24115461224)1722(1931)29322715871426(27)30(36)3329h415171820H2316H21H3(H323336)b2217
MFCD13371149
ZINC000026779622
ZINC26779622
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