Vitas-M small molecule compound
7-[(4-bromo-2,6-diethylphenyl)carbamoyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid
Catalog ID
STK389343
SMILES CCc1cc(Br)cc(c1NC(=O)C1C2C=CC(C1C(=O)O)C1C2C1)CC
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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 C21H24BrNO3 MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO3/c1-3-10-7-12(22)8-11(4-2)19(10)23-20(24)17-13-5-6-14(16-9-15(13)16)18(17)21(25)26/h5-8,13-18H,3-4,9H2,1-2H3,(H,23,24)(H,25,26)InChIKey
ACAJHISSGYYZJR-UHFFFAOYSA-NSynonyms
7((4bromo26diethylphenyl)carbamoyl)tricyclo(3220~24~)non8ene6carboxylicacid
CCC1=CC(=CC(=C1NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4)CC)Br
InChI=1SC21H24BrNO3c1310712(22)811(42)19(10)2320(24)17135614(16915(13)16)18(17)21(25)26h581318H349H212H3(H2324)(H2526)
MFCD03837308
ZINC000226408152
ZINC000238997241
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