Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK865914
SMILES COc1ccc(cc1)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 C26H19N5O MW 417.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O/c1-32-22-13-11-18(12-14-22)25-20(17-31(30-25)21-7-3-2-4-8-21)15-19(16-27)26-28-23-9-5-6-10-24(23)29-26/h2-15,17H,1H3,(H,28,29)/b19-15-InChIKey
MNKXUXRRHNCNGV-CYVLTUHYSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(3(4methoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(4methoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
COc1ccc(cc1)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC26H19N5Oc13222131118(121422)2520(1731(3025)217324821)1519(1627)2628239561024(23)2926h21517H1H3(H2829)b1915
MFCD06325016
ZINC000033629100
ZINC33629100
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