Vitas-M small molecule compound
(2Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK706615
SMILES CCOc1ccc(cc1Cl)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 C28H22ClN5O MW 479.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O/c1-3-35-26-14-13-19(16-23(26)29)27-21(18-34(32-27)22-9-5-4-6-10-22)15-20(17-30)28-31-24-11-7-8-12-25(24)33(28)2/h4-16,18H,3H2,1-2H3/b20-15-InChIKey
LIHUGAGRSLFNTP-HKWRFOASSA-NSynonyms
1009435-73-7(2Z)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(Z)3(3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
1009435737
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)Cl
CCOc1ccc(cc1Cl)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
InChI=1SC28H22ClN5Oc133526141319(1623(26)29)2721(1834(3227)2295461022)1520(1730)28312411781225(24)33(28)2h41618H3H212H3b2015
MFCD04005241
ZINC000009462178
ZINC09462178
ZINC9462178
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