Vitas-M small molecule compound

3-methyl-N-{2,2,2-trichloro-1-[(2-fluorophenyl)amino]ethyl}butanamide

Catalog ID
STK808755
SMILES CC(CC(=O)NC(C(Cl)(Cl)Cl)Nc1ccccc1F)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 C13H16Cl3FN2O MW 341.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16Cl3FN2O/c1-8(2)7-11(20)19-12(13(14,15)16)18-10-6-4-3-5-9(10)17/h3-6,8,12,18H,7H2,1-2H3,(H,19,20)
InChIKey
HIWHVMYWSFSWTA-UHFFFAOYSA-N
Synonyms

3methylN(222trichloro1((2fluorophenyl)amino)ethyl)butanamide
3METHYLN(222TRICHLORO1(2FLUOROANILINO)ETHYL)BUTANAMIDE
3METHYLN(222TRICHLORO1(2FLUOROPHENYLAMINO)ETHYL)BUTYRAMIDE
CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1F
InChI=1SC13H16Cl3FN2Oc18(2)711(20)1912(13(1415)16)181064359(10)17h3681218H7H212H3(H1920)
MFCD00702752
ZINC000002666985
ZINC000002666986

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Available files

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