Vitas-M small molecule compound

methyl 2-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-5-bromobenzoate

Catalog ID
STK122221
SMILES COC(=O)c1cc(Br)ccc1c1ccc(o1)/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 C22H14BrN3O3 MW 448.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O3/c1-28-22(27)17-11-14(23)6-8-16(17)20-9-7-15(29-20)10-13(12-24)21-25-18-4-2-3-5-19(18)26-21/h2-11H,1H3,(H,25,26)/b13-10+
InChIKey
YOIYDSCLWDXLRO-JLHYYAGUSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3
COC(=O)c1cc(Br)ccc1c1ccc(o1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC22H14BrN3O3c12822(27)171114(23)6816(17)209715(2920)1013(1224)212518423519(18)2621h211H1H3(H2526)b1310+
METHYL2(5((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)FURAN2YL)5BROMOBENZOATE
MFCD03927826
ZINC000009805807
ZINC09805807
ZINC9805807

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.