Vitas-M small molecule compound
methyl 5-nitro-3-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK766124
SMILES COC(=O)c1sc2c(c1NC(=O)C(C(F)(F)F)(OC)F)cc(cc2)[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 C14H10F4N2O6S MW 410.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10F4N2O6S/c1-25-11(21)10-9(19-12(22)13(15,26-2)14(16,17)18)7-5-6(20(23)24)3-4-8(7)27-10/h3-5H,1-2H3,(H,19,22)InChIKey
DGEOAACOOJUAPU-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=CC(=C2)(N+)(=O)(O))NC(=O)C(C(F)(F)F)(OC)F
COC(=O)c1sc2c(c1NC(=O)C(C(F)(F)F)(OC)F)cc(cc2)(N+)(=O)(O)
InChI=1SC14H10F4N2O6Sc12511(21)109(1912(22)13(15262)14(1617)18)756(20(23)24)348(7)2710h35H12H3(H1922)
methyl5nitro3((2333tetrafluoro2methoxypropanoyl)amino)1benzothiophene2carboxylate
MFCD02934792
ZINC000012417690
ZINC000012417692
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.