Vitas-M small molecule compound
4-({4-[(Z)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy}methyl)benzoic acid
Catalog ID
STL371880
SMILES N#C/C(=C/c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/c1[nH]c2c(n1)cc(c(c2)C)C
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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 C26H21N3O3 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3/c1-16-11-23-24(12-17(16)2)29-25(28-23)21(14-27)13-18-5-9-22(10-6-18)32-15-19-3-7-20(8-4-19)26(30)31/h3-13H,15H2,1-2H3,(H,28,29)(H,30,31)/b21-13-InChIKey
UFMNICTURCQKBN-BKUYFWCQSA-NSynonyms
4((4((Z)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)phenoxy)methyl)benzoicacid
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C#N
InChI=1SC26H21N3O3c116112324(1217(16)2)2925(2823)21(1427)13185922(10618)3215193720(8419)26(30)31h313H15H212H3(H2829)(H3031)b2113
MFCD28950902
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C(=O)O)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000098086614
ZINC98086614
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