Vitas-M small molecule compound

ethyl 4-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)benzoate

Catalog ID
STK459459
SMILES CCOC(=O)c1ccc(cc1)NC(=S)Nc1ccc(c(c1)Cl)OC(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 C17H15ClF2N2O3S MW 400.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClF2N2O3S/c1-2-24-15(23)10-3-5-11(6-4-10)21-17(26)22-12-7-8-14(13(18)9-12)25-16(19)20/h3-9,16H,2H2,1H3,(H2,21,22,26)
InChIKey
XVUWDGVYFVPYEH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl
ETHYL4((((4(DIFLUOROMETHOXY)3CHLOROPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
ethyl4(((3chloro4(difluoromethoxy)phenyl)carbamothioyl)amino)benzoate
ETHYL4((3CHLORO4(DIFLUOROMETHOXY)PHENYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC17H15ClF2N2O3Sc122415(23)103511(6410)2117(26)22127814(13(18)912)2516(19)20h3916H2H21H3(H2212226)
MFCD05991708
ZINC000002858663
ZINC02858663
ZINC2858663

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Available files

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