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Vitas-M small molecule compound

2-{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}-5-methylhexanoic acid

Catalog ID
STK000295
SMILES CC(CCC(C(CC(=O)Nc1ccccc1Cl)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 C17H24ClNO3 MW 325.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClNO3/c1-11(2)8-9-13(17(21)22)12(3)10-16(20)19-15-7-5-4-6-14(15)18/h4-7,11-13H,8-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKey
MRYJNXLXQXZWQO-UHFFFAOYSA-N
Synonyms
368839-98-9
(2R)2((2R)4((2CHLOROPHENYL)AMINO)4OXOBUTAN2YL)5METHYLHEXANOICACID
(2S)2((2R)4((2CHLOROPHENYL)AMINO)4OXOBUTAN2YL)5METHYLHEXANOICACID
(2S)2((2S)4((2CHLOROPHENYL)AMINO)4OXOBUTAN2YL)5METHYLHEXANOICACID
2(1((2CHLOROPHENYL)CARBAMOYL)PROPAN2YL)5METHYLHEXANOICACID
2(4((2CHLOROPHENYL)AMINO)4OXOBUTAN2YL)5METHYLHEXANOICACID
2(4(2CHLOROANILINO)4OXOBUTAN2YL)5METHYLHEXANOICACID
368839989
CC(C)CCC(C(C)CC(=O)NC1=CC=CC=C1Cl)C(=O)O
CC(CCC(C(CC(=O)Nc1ccccc1Cl)C)C(=O)O)C
InChI=1SC17H24ClNO3c111(2)8913(17(21)22)12(3)1016(20)1915754614(15)18h471113H810H213H3(H1920)(H2122)
MFCD01554925
STK000295
ZINC000002306236
ZINC000002306239

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Available files

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

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