Vitas-M small molecule compound

N-(2,2,2-trichloro-1-{[(2-chlorophenyl)carbamothioyl]amino}ethyl)butanamide

Catalog ID
STK862049
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccccc1Cl

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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 C13H15Cl4N3OS MW 403.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15Cl4N3OS/c1-2-5-10(21)19-11(13(15,16)17)20-12(22)18-9-7-4-3-6-8(9)14/h3-4,6-7,11H,2,5H2,1H3,(H,19,21)(H2,18,20,22)
InChIKey
QCQQGAQGNJEKHU-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1Cl
InChI=1SC13H15Cl4N3OSc12510(21)1911(13(1516)17)2012(22)18974368(9)14h346711H25H21H3(H1921)(H2182022)
MFCD00402007
N((1R)222TRICHLORO1(((2CHLOROPHENYL)CARBAMOTHIOYL)AMINO)ETHYL)BUTANAMIDE
N((1S)222TRICHLORO1(((2CHLOROPHENYL)CARBAMOTHIOYL)AMINO)ETHYL)BUTANAMIDE
N(222trichloro1(((2chlorophenyl)carbamothioyl)amino)ethyl)butanamide
N(222TRICHLORO1((2CHLOROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BUTANAMIDE
ZINC000002682873
ZINC000002682874

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Available files

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