Vitas-M small molecule compound

ethyl 2-[(chloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK483414
SMILES CCOC(=O)c1c(NC(=O)CCl)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 C13H17ClN2O4S MW 332.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN2O4S/c1-5-20-13(19)9-7(2)10(12(18)16(3)4)21-11(9)15-8(17)6-14/h5-6H2,1-4H3,(H,15,17)
InChIKey
NUONTUPPOOBZDU-UHFFFAOYSA-N
Synonyms
546116-25-0
2(2CHLOROACETYLAMINO)5DIMETHYLCARBAMOYL
2(2CHLOROACETYLAMINO)5DIMETHYLCARBAMOYL4METHYLTHIOPHENE3CARBOXYLICACIDETHYLESTER
546116250
CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CCl
ETHYL2((2CHLOROACETYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((CHLOROACETYL)AMINO)5((DIMETHYLAMINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl2((chloroacetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2(2CHLOROACETAMIDO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(NNDIMETHYLCARBAMOYL)2(2CHLOROACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC13H17ClN2O4Sc152013(19)97(2)10(12(18)16(3)4)2111(9)158(17)614h56H214H3(H1517)
MFCD03396357
ZINC000003267932
ZINC03267932
ZINC3267932

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Available files

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