Vitas-M small molecule compound

methyl 2-[(cyclohexylcarbamothioyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK454672
SMILES COC(=O)c1c(NC(=S)NC2CCCCC2)sc(c1C)C(=O)N(C)C

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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 C17H25N3O3S2 MW 383.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O3S2/c1-10-12(16(22)23-4)14(25-13(10)15(21)20(2)3)19-17(24)18-11-8-6-5-7-9-11/h11H,5-9H2,1-4H3,(H2,18,19,24)
InChIKey
PZZXPBLKYPOPDC-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCCCC2)C(=O)N(C)C
InChI=1SC17H25N3O3S2c11012(16(22)234)14(2513(10)15(21)20(2)3)1917(24)18118657911h11H59H214H3(H2181924)
methyl2((cyclohexylcarbamothioyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
methyl2(cyclohexylcarbamothioylamino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL5(NNDIMETHYLCARBAMOYL)2(((CYCLOHEXYLAMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04226958
ZINC000017078367
ZINC17078367

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Available files

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