Vitas-M small molecule compound

(2Z)-2-(1H-benzimidazol-2-yl)-3-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile

Catalog ID
STK296537
SMILES C#CCOc1ccc(cc1/C=C(\c1nc2c([nH]1)cccc2)/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 C19H12BrN3O MW 378.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O/c1-2-9-24-18-8-7-15(20)11-13(18)10-14(12-21)19-22-16-5-3-4-6-17(16)23-19/h1,3-8,10-11H,9H2,(H,22,23)/b14-10-
InChIKey
CCHAYOAXLTWTEY-UVTDQMKNSA-N
Synonyms

(2Z)2(1Hbenzimidazol2yl)3(5bromo2(prop2yn1yloxy)phenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(5BROMO2PROP2YNOXYPHENYL)PROP2ENENITRILE
C#CCOC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=CC=CC=C3N2
C#CCOc1ccc(cc1C=C(c1nc2c((nH)1)cccc2)C#N)Br
InChI=1SC19H12BrN3Oc12924188715(20)1113(18)1014(1221)192216534617(16)2319h1381011H9H2(H2223)b1410
MFCD06000787
ZINC000005028258
ZINC05028258
ZINC5028258

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Available files

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