Vitas-M small molecule compound
2-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid
Catalog ID
STK667163
SMILES N#C/C(=C\c1ccc(o1)c1ccccc1C(=O)O)/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 C21H13N3O3 MW 355.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O3/c22-12-13(20-23-17-7-3-4-8-18(17)24-20)11-14-9-10-19(27-14)15-5-1-2-6-16(15)21(25)26/h1-11H,(H,23,24)(H,25,26)/b13-11+InChIKey
OXMPHBICAHAOIC-ACCUITESSA-NSynonyms
2(5((1E)2BENZIMIDAZOL2YL2CYANOVINYL)2FURYL)BENZOICACID
2(5((E)2(1Hbenzimidazol2yl)2cyanoethenyl)furan2yl)benzoicacid
2(5(2(1HBENZOIMIDAZOL2YL)2CYANOVINYL)FURAN2YL)BENZOICACID
C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)C(=O)O
InChI=1SC21H13N3O3c221213(202317734818(17)2420)111491019(2714)15512616(15)21(25)26h111H(H2324)(H2526)b1311+
MFCD01822332
N#CC(=Cc1ccc(o1)c1ccccc1C(=O)O)c1nc2c((nH)1)cccc2
ZINC000004494571
ZINC4494571
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