Vitas-M small molecule compound
(2Z)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK881249
SMILES CCCCSc1ccc(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 C30H25N5OS MW 503.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5OS/c1-2-3-17-37-25-15-13-21(14-16-25)28-23(20-35(34-28)24-9-5-4-6-10-24)18-22(19-31)29-32-27-12-8-7-11-26(27)30(36)33-29/h4-16,18,20H,2-3,17H2,1H3,(H,32,33,36)/b22-18-InChIKey
MZSRPYYMBFTIRC-PYCFMQQDSA-NSynonyms
(2Z)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)acrylonitrile
(Z)3(3(4butylsulfanylphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
CCCCSc1ccc(cc1)c1nn(cc1C=C(c1nc2ccccc2c(=O)(nH)1)C#N)c1ccccc1
InChI=1SC30H25N5OSc123173725151321(141625)2823(2035(3428)2495461024)1822(1931)29322712871126(27)30(36)3329h4161820H2317H21H3(H323336)b2218
MFCD18075901
ZINC000026779618
ZINC26779618
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