Vitas-M small molecule compound
(2E)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-hydroxyquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK600879
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C(/c1nc(O)c2c(n1)cccc2)\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-RELWKKBWSA-NSynonyms
955866-97-4(2E)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2(4hydroxyquinazolin2yl)prop2enenitrile
(E)3(3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
955866974
CCCCSc1ccc(cc1)c1nn(cc1C=C(c1nc(O)c2c(n1)cccc2)C#N)c1ccccc1
InChI=1SC30H25N5OSc123173725151321(141625)2823(2035(3428)2495461024)1822(1931)29322712871126(27)30(36)3329h4161820H2317H21H3(H323336)b2218+
MFCD09790471
ZINC000013552000
ZINC13552000
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