Vitas-M small molecule compound

methyl 3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate

Catalog ID
STK473538
SMILES COC(=O)c1cccc(c1)NC(=S)Nc1cccc(c1)C(F)(F)F

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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 C16H13F3N2O2S MW 354.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N2O2S/c1-23-14(22)10-4-2-6-12(8-10)20-15(24)21-13-7-3-5-11(9-13)16(17,18)19/h2-9H,1H3,(H2,20,21,24)
InChIKey
SCGGVVPZDHIJOC-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F
InChI=1SC16H13F3N2O2Sc12314(22)1042612(810)2015(24)211373511(913)16(1718)19h29H1H3(H2202124)
methyl3(((3(trifluoromethyl)phenyl)carbamothioyl)amino)benzoate
methyl3((3(trifluoromethyl)phenyl)carbamothioylamino)benzoate
METHYL3((THIOXO((3(TRIFLUOROMETHYL)PHENYL)AMINO)METHYL)AMINO)BENZOATE
MFCD03229257
ZINC000017073271
ZINC17073271

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Available files

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