Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK823133
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C(/c1nc2c([nH]1)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 C29H25N5O MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O/c1-3-15-35-27-14-13-21(16-20(27)2)28-23(19-34(33-28)24-9-5-4-6-10-24)17-22(18-30)29-31-25-11-7-8-12-26(25)32-29/h4-14,16-17,19H,3,15H2,1-2H3,(H,31,32)/b22-17+InChIKey
WAJJGIPCJIDNLD-OQKWZONESA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(1Hbenzimidazol2yl)3(3(3methyl4propoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C
CCCOc1ccc(cc1C)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC29H25N5Oc13153527141321(1620(27)2)2823(1934(3328)2495461024)1722(1830)29312511781226(25)3229h414161719H315H212H3(H3132)b2217+
MFCD03463675
ZINC000027018595
ZINC27018595
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