Vitas-M small molecule compound

dimethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK436958
SMILES N#CCC(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC

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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 C12H12N2O5S MW 296.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O5S/c1-6-8(11(16)18-2)10(14-7(15)4-5-13)20-9(6)12(17)19-3/h4H2,1-3H3,(H,14,15)
InChIKey
JIXXBHAUOPJKCQ-UHFFFAOYSA-N
Synonyms
514219-45-5
24DIMETHYL5(2CYANOACETAMIDO)3METHYLTHIOPHENE24DICARBOXYLATE
514219455
CC1=C(SC(=C1C(=O)OC)NC(=O)CC#N)C(=O)OC
DIMETHYL5((2CYANOACETYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
dimethyl5((cyanoacetyl)amino)3methylthiophene24dicarboxylate
InChI=1SC12H12N2O5Sc168(11(16)182)10(147(15)4513)209(6)12(17)193h4H213H3(H1415)
MFCD03757206
ZINC000006200497
ZINC06200497
ZINC6200497

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Available files

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