Vitas-M small molecule compound

N-[1-({[4-(acetylamino)phenyl]carbamothioyl}amino)-2,2,2-trichloroethyl]propanamide

Catalog ID
STK808568
SMILES CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)NC(=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 C14H17Cl3N4O2S MW 411.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17Cl3N4O2S/c1-3-11(23)20-12(14(15,16)17)21-13(24)19-10-6-4-9(5-7-10)18-8(2)22/h4-7,12H,3H2,1-2H3,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKey
GMKMOBPOCJIYQT-UHFFFAOYSA-N
Synonyms

CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C
InChI=1SC14H17Cl3N4O2Sc1311(23)2012(14(1516)17)2113(24)1910649(5710)188(2)22h4712H3H212H3(H1822)(H2023)(H2192124)
MFCD00225852
N(1(((4(acetylamino)phenyl)carbamothioyl)amino)222trichloroethyl)propanamide
N(1((4ACETAMIDOPHENYL)CARBAMOTHIOYLAMINO)222TRICHLOROETHYL)PROPANAMIDE
N(1(3(4ACETYLAMINOPHENYL)THIOUREIDO)222TRICHLOROETHYL)PROPIONAMIDE
ZINC000002706983
ZINC000002706985

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Available files

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