Vitas-M small molecule compound
butyl 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate
Catalog ID
STK389052
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(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 C25H20ClN3O3 MW 445.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O3/c1-2-3-12-31-25(30)19-14-16(8-10-20(19)26)23-11-9-18(32-23)13-17(15-27)24-28-21-6-4-5-7-22(21)29-24/h4-11,13-14H,2-3,12H2,1H3,(H,28,29)/b17-13+InChIKey
PGQBFXHJKXJJHE-GHRIWEEISA-NSynonyms
BUTYL5(5((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)FURAN2YL)2CHLOROBENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl
CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H20ClN3O3c123123125(30)191416(81020(19)26)2311918(3223)1317(1527)242821645722(21)2924h4111314H2312H21H3(H2829)b1713+
MFCD01158713
ZINC000004067177
ZINC04067177
ZINC4067177
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