Vitas-M small molecule compound

dimethyl 5-{[(3,5-dichlorophenyl)carbamothioyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK060689
SMILES COC(=O)c1cc(NC(=S)Nc2cc(Cl)cc(c2)Cl)cc(c1)C(=O)OC

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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 C17H14Cl2N2O4S MW 413.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14Cl2N2O4S/c1-24-15(22)9-3-10(16(23)25-2)5-13(4-9)20-17(26)21-14-7-11(18)6-12(19)8-14/h3-8H,1-2H3,(H2,20,21,26)
InChIKey
FKMVQRLELYQYIS-UHFFFAOYSA-N
Synonyms

5(((35DICHLOROANILINO)SULFANYLIDENEMETHYL)AMINO)BENZENE13DICARBOXYLICACIDDIMETHYLESTER
5((35DICHLOROPHENYL)THIOCARBAMOYLAMINO)BENZENE13DICARBOXYLICACIDDIMETHYLESTER
COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)OC
COC(=O)c1cc(NC(=S)Nc2cc(Cl)cc(c2)Cl)cc(c1)C(=O)OC
DIMETHYL5((((35DICHLOROPHENYL)AMINO)CARBONOTHIOYL)AMINO)ISOPHTHALATE
DIMETHYL5(((35DICHLOROPHENYL)CARBAMOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((35BIS(CHLORANYL)PHENYL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((35DICHLOROPHENYL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC17H14Cl2N2O4Sc12415(22)9310(16(23)252)513(49)2017(26)2114711(18)612(19)814h38H12H3(H2202126)
METHYL5((((35DICHLOROPHENYL)AMINO)THIOXOMETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD03032595
STK060689
ZINC000008689985
ZINC08689985
ZINC8689985

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Available files

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