Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK880730
SMILES COc1cc(ccc1OC)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 C27H21N5O2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O2/c1-33-24-13-12-18(15-25(24)34-2)26-20(17-32(31-26)21-8-4-3-5-9-21)14-19(16-28)27-29-22-10-6-7-11-23(22)30-27/h3-15,17H,1-2H3,(H,29,30)/b19-14-InChIKey
XIXGIZQFMZSWIG-RGEXLXHISA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
2(1HBENZO(D)IMIDAZOL2YL)3(3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)ACRYLONITRILE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)OC
COc1cc(ccc1OC)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC27H21N5O2c13324131218(1525(24)342)2620(1732(3126)218435921)1419(1628)27292210671123(22)3027h31517H12H3(H2930)b1914
MFCD04441322
ZINC000006282477
ZINC06282477
ZINC6282477
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