Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]prop-2-enenitrile
Catalog ID
STK111413
SMILES CCOc1cc(cc(c1OCc1ccccc1)Br)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C25H20BrN3O2 MW 474.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O2/c1-2-30-23-14-18(13-20(26)24(23)31-16-17-8-4-3-5-9-17)12-19(15-27)25-28-21-10-6-7-11-22(21)29-25/h3-14H,2,16H2,1H3,(H,28,29)/b19-12+InChIKey
JNRWAWONNMKLML-XDHOZWIPSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(4(BENZYLOXY)3BROMO5ETHOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3BROMO5ETHOXY4PHENYLMETHOXYPHENYL)PROP2ENENITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=C4
CCOc1cc(cc(c1OCc1ccccc1)Br)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H20BrN3O2c1230231418(1320(26)24(23)3116178435917)1219(1527)25282110671122(21)2925h314H216H21H3(H2829)b1912+
MFCD04587696
ZINC000009187145
ZINC09187145
ZINC9187145
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