Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK796759
SMILES N#C/C(=C\c1cc2OCOc2cc1Br)/c1nc2c([nH]1)cccc2
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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 C17H10BrN3O2 MW 368.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10BrN3O2/c18-12-7-16-15(22-9-23-16)6-10(12)5-11(8-19)17-20-13-3-1-2-4-14(13)21-17/h1-7H,9H2,(H,20,21)/b11-5+InChIKey
RGNNNSKARWEHSD-VZUCSPMQSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(6bromo13benzodioxol5yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(6BROMO13BENZODIOXOL5YL)PROP2ENENITRILE
2(1HBENZIMIDAZOL2YL)3(6BROMO13BENZODIOXOL5YL)ACRYLONITRILE
2(1HBENZOIMIDAZOL2YL)3(6BROMOBENZO(13)DIOXOL5YL)ACRYLONITRILE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br
InChI=1SC17H10BrN3O2c181271615(2292316)610(12)511(819)172013312414(13)2117h17H9H2(H2021)b115+
MFCD00658601
N#CC(=Cc1cc2OCOc2cc1Br)c1nc2c((nH)1)cccc2
ZINC000004321998
ZINC04321998
ZINC4321998
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