Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK702771
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/c1nc2c([nH]1)cccc2
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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 C30H27N5O MW 473.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O/c1-21(2)16-17-36-26-14-12-22(13-15-26)29-24(20-35(34-29)25-8-4-3-5-9-25)18-23(19-31)30-32-27-10-6-7-11-28(27)33-30/h3-15,18,20-21H,16-17H2,1-2H3,(H,32,33)/b23-18-InChIKey
LKLUGWCJNZQSDA-NKFKGCMQSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(1Hbenzo(d)imidazol2yl)3(3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(1Hbenzimidazol2yl)3(3(4(3methylbutoxy)phenyl)1phenylpyrazol4yl)prop2enenitrile
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
InChI=1SC30H27N5Oc121(2)16173626141222(131526)2924(2035(3429)258435925)1823(1931)30322710671128(27)3330h315182021H1617H212H3(H3233)b2318
MFCD03225859
N#CC(=Cc1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)c1nc2c((nH)1)cccc2
ZINC000026687389
ZINC26687389
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