Vitas-M small molecule compound

ethyl 5-(butanoylamino)-4-cyano-3-methylthiophene-2-carboxylate

Catalog ID
STK324441
SMILES CCCC(=O)Nc1sc(c(c1C#N)C)C(=O)OCC

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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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-4-6-10(16)15-12-9(7-14)8(3)11(19-12)13(17)18-5-2/h4-6H2,1-3H3,(H,15,16)
InChIKey
VYXYJKGARDNOCK-UHFFFAOYSA-N
Synonyms
443122-28-9
443122289
5BUTYRYLAMINO4CYANO3METHYLTHIOPHENE2CARBOXYLICACIDETHYLESTER
CCCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N
ethyl5(butanoylamino)4cyano3methylthiophene2carboxylate
ETHYL5(BUTYRYLAMINO)4CYANO3METHYL2THIOPHENECARBOXYLATE
ETHYL5BUTYRAMIDO4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC13H16N2O3Sc14610(16)15129(714)8(3)11(1912)13(17)1852h46H213H3(H1516)
MFCD02965817
ZINC000001964985
ZINC01964985
ZINC1964985

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Available files

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