Vitas-M small molecule compound

methyl 4,6-dinitro-3-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]-1-benzothiophene-2-carboxylate

Catalog ID
STK766117
SMILES COC(=O)c1sc2c(c1NC(=O)C(C(F)(F)F)(OC)F)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

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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 C14H9F4N3O8S MW 455.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9F4N3O8S/c1-28-11(22)10-9(19-12(23)13(15,29-2)14(16,17)18)8-6(21(26)27)3-5(20(24)25)4-7(8)30-10/h3-4H,1-2H3,(H,19,23)
InChIKey
OKMZUXVKPLIFCH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(C=C(C=C2S1)(N+)(=O)(O))(N+)(=O)(O))NC(=O)C(C(F)(F)F)(OC)F
COC(=O)c1sc2c(c1NC(=O)C(C(F)(F)F)(OC)F)c(cc(c2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9F4N3O8Sc12811(22)109(1912(23)13(15292)14(1617)18)86(21(26)27)35(20(24)25)47(8)3010h34H12H3(H1923)
methyl46dinitro3((2333tetrafluoro2methoxypropanoyl)amino)1benzothiophene2carboxylate
MFCD02934786
ZINC000003616869
ZINC000003616872

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Available files

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