Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}propanoic acid
Catalog ID
STK197326
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c1-3-27-19-11-14(8-9-18(19)28-13(2)21(25)26)10-15(12-22)20-23-16-6-4-5-7-17(16)24-20/h4-11,13H,3H2,1-2H3,(H,23,24)(H,25,26)/b15-10+InChIKey
XAVGNURUZYXXSR-XNTDXEJSSA-NSynonyms
2(4((1E)2BENZIMIDAZOL2YL2CYANOVINYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((E)2(1HBENZIMIDAZOL2YL)2CYANOVINYL)2ETHOXYPHENOXY)PROPIONICACID
2(4(2(1HBENZOIMIDAZOL2YL)2CYANOVINYL)2ETHOXYPHENOXY)PROPIONICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC21H19N3O4c1327191114(8918(19)2813(2)21(25)26)1015(1222)202316645717(16)2420h41113H3H212H3(H2324)(H2526)b1510+
MFCD03992097
ZINC000004453049
ZINC000004453050
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