Vitas-M small molecule compound
4-({4-[(Z)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STL371881
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C(\c1[nH]c2c(n1)cc(c(c2)C)C)/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 C27H23N3O4 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4/c1-16-10-22-23(11-17(16)2)30-26(29-22)21(14-28)12-19-6-9-24(25(13-19)33-3)34-15-18-4-7-20(8-5-18)27(31)32/h4-13H,15H2,1-3H3,(H,29,30)(H,31,32)/b21-12-InChIKey
ZHEXFBYYHTUNDU-MTJSOVHGSA-NSynonyms
4((4((Z)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)2methoxyphenoxy)methyl)benzoicacid
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C#N
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC27H23N3O4c116102223(1117(16)2)3026(2922)21(1428)12196924(25(1319)333)3415184720(8518)27(31)32h413H15H213H3(H2930)(H3132)b2112
MFCD28950903
ZINC000098086615
ZINC98086615
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