Vitas-M small molecule compound

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

Catalog ID
STK434484
SMILES N#CCC(=O)Nc1sc(c(c1C(=O)OC)C)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 C13H15N3O4S MW 309.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4S/c1-7-9(13(19)20-4)11(15-8(17)5-6-14)21-10(7)12(18)16(2)3/h5H2,1-4H3,(H,15,17)
InChIKey
UBAQWQYIGCRMGF-UHFFFAOYSA-N
Synonyms
546090-59-9
546090599
CC1=C(SC(=C1C(=O)OC)NC(=O)CC#N)C(=O)N(C)C
InChI=1SC13H15N3O4Sc179(13(19)204)11(158(17)5614)2110(7)12(18)16(2)3h5H214H3(H1517)
METHYL2((2CYANOACETYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((CYANOACETYL)AMINO)5((DIMETHYLAMINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl2((cyanoacetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(2CYANOACETAMIDO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIMETHYLCARBAMOYL)2(2CYANOACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03394772
ZINC000006254127
ZINC06254127
ZINC6254127

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Available files

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