Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]thiophene-3-carboxylate

Catalog ID
STL426819
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC

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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 C17H17F9N2O4S MW 516.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F9N2O4S/c1-5-28(6-2)11(29)9-7(3)8(12(30)32-4)10(33-9)27-13(31)14(18,19)15(20,21)16(22,23)17(24,25)26/h5-6H2,1-4H3,(H,27,31)
InChIKey
LXXJMABXBPJHPS-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC)C
InChI=1SC17H17F9N2O4Sc1528(62)11(29)97(3)8(12(30)324)10(339)2713(31)14(1819)15(2021)16(2223)17(2425)26h56H214H3(H2731)
methyl5(diethylcarbamoyl)4methyl2((223344555nonafluoropentanoyl)amino)thiophene3carboxylate
methyl5(diethylcarbamoyl)4methyl2(223344555nonafluoropentanoylamino)thiophene3carboxylate
MFCD01342078
ZINC000103610009
ZINC103610009

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Available files

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