Vitas-M small molecule compound

2-[(2-hydroxyethyl)amino]-4-(4-methylphenyl)-4-oxobutanoic acid

Catalog ID
STK556121
SMILES OCCNC(C(=O)O)CC(=O)c1ccc(cc1)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 C13H17NO4 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO4/c1-9-2-4-10(5-3-9)12(16)8-11(13(17)18)14-6-7-15/h2-5,11,14-15H,6-8H2,1H3,(H,17,18)
InChIKey
QWBYXFZCPRNGMK-UHFFFAOYSA-N
Synonyms
67653-56-9
(2R)2((2HYDROXYETHYL)AMINO)4(4METHYLPHENYL)4OXOBUTANOICACID
(2S)2((2HYDROXYETHYL)AMMONIO)4(4METHYLPHENYL)4OXOBUTANOATE
2((2hydroxyethyl)amino)4(4methylphenyl)4oxobutanoicacid
2((2hydroxyethyl)amino)4oxo4(ptolyl)butanoicacid
2(2HYDROXYETHYLAMINO)4(4METHYLPHENYL)4OXOBUTANOICACID
67653569
CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCCO
InChI=1SC13H17NO4c192410(539)12(16)811(13(17)18)146715h25111415H68H21H3(H1718)
MFCD00682430
ZINC000002438890
ZINC000002438891

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.