Vitas-M small molecule compound
(2E)-3-(5-bromo-2-propoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL431163
SMILES CCCOc1ccc(cc1/C=C(/c1nc2c([nH]1)cc(cc2)C)\C#N)Br
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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 C20H18BrN3O MW 396.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O/c1-3-8-25-19-7-5-16(21)11-14(19)10-15(12-22)20-23-17-6-4-13(2)9-18(17)24-20/h4-7,9-11H,3,8H2,1-2H3,(H,23,24)/b15-10+InChIKey
JPOQEIWWWMHBTD-XNTDXEJSSA-NSynonyms
(2E)3(5bromo2propoxyphenyl)2(6methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(5BROMO2PROPOXYPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C
CCCOc1ccc(cc1C=C(c1nc2c((nH)1)cc(cc2)C)C#N)Br
InChI=1SC20H18BrN3Oc13825197516(21)1114(19)1015(1222)2023176413(2)918(17)2420h47911H38H212H3(H2324)b1510+
MFCD01446192
ZINC000005385700
ZINC05385700
ZINC5385700
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