Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK706647
SMILES CCOc1ccc(cc1Cl)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 C27H20ClN5O MW 465.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN5O/c1-2-34-25-13-12-18(15-22(25)28)26-20(17-33(32-26)21-8-4-3-5-9-21)14-19(16-29)27-30-23-10-6-7-11-24(23)31-27/h3-15,17H,2H2,1H3,(H,30,31)/b19-14-InChIKey
MNDBLRFXVWVZPI-RGEXLXHISA-NSynonyms
1009186-96-2(2Z)2(1Hbenzimidazol2yl)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzo(d)imidazol2yl)3(3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
1009186962
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)Cl
CCOc1ccc(cc1Cl)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC27H20ClN5Oc123425131218(1522(25)28)2620(1733(3226)218435921)1419(1629)27302310671124(23)3127h31517H2H21H3(H3031)b1914
MFCD04004433
ZINC000008743575
ZINC08743575
ZINC8743575
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