Vitas-M small molecule compound

N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbenzamide

Catalog ID
STK808545
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)C)Nc1ccc(cc1)Br

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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 C17H15BrCl3N3OS MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrCl3N3OS/c1-10-3-2-4-11(9-10)14(25)23-15(17(19,20)21)24-16(26)22-13-7-5-12(18)6-8-13/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)
InChIKey
ZHYZSUAACMKGHI-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Br
InChI=1SC17H15BrCl3N3OSc11032411(910)14(25)2315(17(1920)21)2416(26)22137512(18)6813h2915H1H3(H2325)(H2222426)
MFCD00266338
N(1(((4bromophenyl)carbamothioyl)amino)222trichloroethyl)3methylbenzamide
N(1((4BROMOPHENYL)CARBAMOTHIOYLAMINO)222TRICHLOROETHYL)3METHYLBENZAMIDE
N(1(3(4BROMOPHENYL)THIOUREIDO)222TRICHLOROETHYL)3METHYLBENZAMIDE
ZINC000000836710
ZINC000000836712

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Available files

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