Vitas-M small molecule compound
5-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]-2-methoxybenzoic acid
Catalog ID
STL484789
SMILES N#C/C(=C/c1ccc(c(c1)C(=O)O)OC)/c1ccc(cc1)[N+](=O)[O-]
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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 C17H12N2O5 MW 324.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O5/c1-24-16-7-2-11(9-15(16)17(20)21)8-13(10-18)12-3-5-14(6-4-12)19(22)23/h2-9H,1H3,(H,20,21)/b13-8-InChIKey
WDMSXRHHLCQSLT-JYRVWZFOSA-NSynonyms
5((1E)2CYANO2(4NITROPHENYL)VINYL)2METHOXYBENZOICACID
5((E)2cyano2(4nitrophenyl)ethenyl)2methoxybenzoicacid
COC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)O
InChI=1SC17H12N2O5c124167211(915(16)17(20)21)813(1018)123514(6412)19(22)23h29H1H3(H2021)b138
MFCD01442706
N#CC(=Cc1ccc(c(c1)C(=O)O)OC)c1ccc(cc1)(N+)(=O)(O)
ZINC000005527218
ZINC5527218
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