Vitas-M small molecule compound
4-[(3-bromo-4-methylphenyl)amino]-2-(3,5-dimethylbenzyl)-3-methyl-4-oxobutanoic acid
Catalog ID
STL448748
SMILES Cc1cc(cc(c1)C)CC(C(C(=O)Nc1ccc(c(c1)Br)C)C)C(=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 C21H24BrNO3 MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO3/c1-12-7-13(2)9-16(8-12)10-18(21(25)26)15(4)20(24)23-17-6-5-14(3)19(22)11-17/h5-9,11,15,18H,10H2,1-4H3,(H,23,24)(H,25,26)InChIKey
CEMHFLMOVGIPSW-UHFFFAOYSA-NSynonyms
4((3bromo4methylphenyl)amino)2(35dimethylbenzyl)3methyl4oxobutanoicacid
4(3bromo4methylanilino)2((35dimethylphenyl)methyl)3methyl4oxobutanoicacid
CC1=C(C=C(C=C1)NC(=O)C(C)C(CC2=CC(=CC(=C2)C)C)C(=O)O)Br
InChI=1SC21H24BrNO3c112713(2)916(812)1018(21(25)26)15(4)20(24)23176514(3)19(22)1117h59111518H10H214H3(H2324)(H2526)
MFCD19442635
ZINC000071405984
ZINC000071405987
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