Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK706630
SMILES CCCCOc1ccc(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 C30H24ClN5O2 MW 522.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN5O2/c1-2-3-15-38-27-14-13-20(17-25(27)31)28-22(19-36(35-28)23-9-5-4-6-10-23)16-21(18-32)29-33-26-12-8-7-11-24(26)30(37)34-29/h4-14,16-17,19H,2-3,15H2,1H3,(H,33,34,37)/b21-16-InChIKey
DMSTVHNHHCKCEF-PGMHBOJBSA-NSynonyms
(2Z)3(3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(4butoxy3chlorophenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC30H24ClN5O2c123153827141320(1725(27)31)2822(1936(3528)2395461023)1621(1832)29332612871124(26)30(37)3429h414161719H2315H21H3(H333437)b2116
MFCD08530859
ZINC000019927956
ZINC19927956
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