Vitas-M small molecule compound

4-{[4-(butan-2-yl)phenyl]amino}-4-oxobutanoic acid

Catalog ID
STK417928
SMILES CCC(c1ccc(cc1)NC(=O)CCC(=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 C14H19NO3 MW 249.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO3/c1-3-10(2)11-4-6-12(7-5-11)15-13(16)8-9-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
ZMDBCHPWMLPLGB-UHFFFAOYSA-N
Synonyms
541530-57-8
3(N(4(METHYLPROPYL)PHENYL)CARBAMOYL)PROPANOICACID
4((4(butan2yl)phenyl)amino)4oxobutanoicacid
4(4BUTAN2YLANILINO)4OXOBUTANOICACID
4(4SECBUTYLANILINO)4OXOBUTANOICACID
541530578
CCC(C)C1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI=1SC14H19NO3c1310(2)114612(7511)1513(16)8914(17)18h4710H389H212H3(H1516)(H1718)
MFCD03366029
ZINC000000461554
ZINC000000461555

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Available files

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