Vitas-M small molecule compound

methyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-2-carboxylate

Catalog ID
STL131730
SMILES COC(=O)c1sccc1NC(=S)Nc1ccc(c(c1)Cl)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 C13H10ClFN2O2S2 MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClFN2O2S2/c1-19-12(18)11-10(4-5-21-11)17-13(20)16-7-2-3-9(15)8(14)6-7/h2-6H,1H3,(H2,16,17,20)
InChIKey
XIJNWZUFTPFSCA-UHFFFAOYSA-N
Synonyms
440324-20-9
440324209
COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=C(C=C2)F)Cl
InChI=1SC13H10ClFN2O2S2c11912(18)1110(452111)1713(20)167239(15)8(14)67h26H1H3(H2161720)
methyl3(((3chloro4fluorophenyl)carbamothioyl)amino)thiophene2carboxylate
METHYL3((3CHLORO4FLUOROPHENYL)CARBAMOTHIOYLAMINO)THIOPHENE2CARBOXYLATE
MFCD02019538
ZINC000000256803
ZINC00256803
ZINC256803

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Available files

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