Vitas-M small molecule compound

ethyl 5-acetyl-2-{[1-(butanoylamino)-2,2,2-trichloroethyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK808809
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)Nc1sc(c(c1C(=O)OCC)C)C(=O)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 C16H21Cl3N2O4S MW 443.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21Cl3N2O4S/c1-5-7-10(23)20-15(16(17,18)19)21-13-11(14(24)25-6-2)8(3)12(26-13)9(4)22/h15,21H,5-7H2,1-4H3,(H,20,23)
InChIKey
JQRQCZGTNQJQTE-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC
ethyl5acetyl2((1(butanoylamino)222trichloroethyl)amino)4methylthiophene3carboxylate
InChI=1SC16H21Cl3N2O4Sc15710(23)2015(16(1718)19)211311(14(24)2562)8(3)12(2613)9(4)22h1521H57H214H3(H2023)
MFCD00616030
ZINC000002667183
ZINC000002667184

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Available files

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