Vitas-M small molecule compound

N-{2,2,2-trichloro-1-[(naphthalen-1-ylcarbamothioyl)amino]ethyl}butanamide

Catalog ID
STK862062
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc2c1cccc2

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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 C17H18Cl3N3OS MW 418.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18Cl3N3OS/c1-2-6-14(24)22-15(17(18,19)20)23-16(25)21-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,15H,2,6H2,1H3,(H,22,24)(H2,21,23,25)
InChIKey
MRACTILJNJIDJP-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=CC=CC=C21
InChI=1SC17H18Cl3N3OSc12614(24)2215(17(1819)20)2316(25)2113105811734912(11)13h3571015H26H21H3(H2224)(H2212325)
MFCD00268030
N((1S)222TRICHLORO1((NAPHTHALEN1YLCARBAMOTHIOYL)AMINO)ETHYL)BUTANAMIDE
N(222trichloro1((naphthalen1ylcarbamothioyl)amino)ethyl)butanamide
N(222TRICHLORO1(NAPHTHALEN1YLCARBAMOTHIOYLAMINO)ETHYL)BUTANAMIDE
ZINC000002688094
ZINC000003878015

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Available files

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