Vitas-M small molecule compound

ethyl 4-{[(2,4,5-trichlorophenyl)carbamothioyl]amino}benzoate

Catalog ID
STK456751
SMILES CCOC(=O)c1ccc(cc1)NC(=S)Nc1cc(Cl)c(cc1Cl)Cl

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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 C16H13Cl3N2O2S MW 403.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N2O2S/c1-2-23-15(22)9-3-5-10(6-4-9)20-16(24)21-14-8-12(18)11(17)7-13(14)19/h3-8H,2H2,1H3,(H2,20,21,24)
InChIKey
YSUGLSOVUPKOQM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl
ethyl4(((245trichlorophenyl)carbamothioyl)amino)benzoate
ETHYL4((245TRICHLOROPHENYL)CARBAMOTHIOYLAMINO)BENZOATE
ETHYL4((THIOXO((245TRICHLOROPHENYL)AMINO)METHYL)AMINO)BENZOATE
InChI=1SC16H13Cl3N2O2Sc122315(22)93510(649)2016(24)2114812(18)11(17)713(14)19h38H2H21H3(H2202124)
MFCD05989649
ZINC000001119343
ZINC01119343
ZINC1119343

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Available files

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