Vitas-M small molecule compound
5-methyl-2-{4-[(2-methylphenyl)amino]-4-oxobutan-2-yl}hexanoic acid
Catalog ID
STL330662
SMILES CC(CCC(C(CC(=O)Nc1ccccc1C)C)C(=O)O)C
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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 C18H27NO3 MW 305.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO3/c1-12(2)9-10-15(18(21)22)14(4)11-17(20)19-16-8-6-5-7-13(16)3/h5-8,12,14-15H,9-11H2,1-4H3,(H,19,20)(H,21,22)InChIKey
BIVPKPIKICYZDK-UHFFFAOYSA-NSynonyms
(2R)5METHYL2((2R)4((2METHYLPHENYL)AMINO)4OXOBUTAN2YL)HEXANOICACID
(2R)5METHYL2((2S)4((2METHYLPHENYL)AMINO)4OXOBUTAN2YL)HEXANOICACID
(2S)5METHYL2((2S)4((2METHYLPHENYL)AMINO)4OXOBUTAN2YL)HEXANOICACID
5methyl2(4((2methylphenyl)amino)4oxobutan2yl)hexanoicacid
5METHYL2(4(2METHYLANILINO)4OXOBUTAN2YL)HEXANOICACID
5methyl2(4oxo4(otolylamino)butan2yl)hexanoicacid
CC1=CC=CC=C1NC(=O)CC(C)C(CCC(C)C)C(=O)O
InChI=1SC18H27NO3c112(2)91015(18(21)22)14(4)1117(20)1916865713(16)3h58121415H911H214H3(H1920)(H2122)
MFCD02855726
ZINC000002306685
ZINC000002306688
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