Vitas-M small molecule compound
(2Z)-2-(1-methyl-1H-benzimidazol-2-yl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK823212
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C(\c1nc2c(n1C)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 C30H25N5O MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O/c1-4-16-36-28-15-14-22(17-21(28)2)29-24(20-35(33-29)25-10-6-5-7-11-25)18-23(19-31)30-32-26-12-8-9-13-27(26)34(30)3/h4-15,17-18,20H,1,16H2,2-3H3/b23-18-InChIKey
HEGGTSZFYVQRSV-NKFKGCMQSA-NSynonyms
(2Z)2(1methyl1Hbenzimidazol2yl)3(3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1methylbenzimidazol2yl)3(3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
C=CCOc1ccc(cc1C)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)OCC=C
InChI=1SC30H25N5Oc14163628151422(1721(28)2)2924(2035(3329)25106571125)1823(1931)30322612891327(26)34(30)3h415171820H116H223H3b2318
MFCD03463754
ZINC000027018856
ZINC27018856
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