Vitas-M small molecule compound

methyl 2-{[(3-chlorophenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK438948
SMILES COC(=O)c1c(NC(=S)Nc2cccc(c2)Cl)sc2c1CCC2

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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 C16H15ClN2O2S2 MW 366.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN2O2S2/c1-21-15(20)13-11-6-3-7-12(11)23-14(13)19-16(22)18-10-5-2-4-9(17)8-10/h2,4-5,8H,3,6-7H2,1H3,(H2,18,19,22)
InChIKey
ROHQCHKRXDTJIA-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC(=CC=C3)Cl
InChI=1SC16H15ClN2O2S2c12115(20)131163712(11)2314(13)1916(22)18105249(17)810h2458H367H21H3(H2181922)
METHYL2((((3CHLOROPHENYL)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((3chlorophenyl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((3CHLOROPHENYL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD03945817
ZINC000006626613
ZINC06626613
ZINC6626613

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Available files

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