Vitas-M small molecule compound

methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate

Catalog ID
STK766655
SMILES COC(=O)c1sc2c(c1N)c(OCC(F)(F)F)cc(c2)[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 C12H9F3N2O5S MW 350.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F3N2O5S/c1-21-11(18)10-9(16)8-6(22-4-12(13,14)15)2-5(17(19)20)3-7(8)23-10/h2-3H,4,16H2,1H3
InChIKey
ICXCRSHNQPUVNW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(C=C(C=C2S1)(N+)(=O)(O))OCC(F)(F)F)N
COC(=O)c1sc2c(c1N)c(OCC(F)(F)F)cc(c2)(N+)(=O)(O)
InChI=1SC12H9F3N2O5Sc12111(18)109(16)86(22412(1314)15)25(17(19)20)37(8)2310h23H416H21H3
methyl3amino6nitro4(222trifluoroethoxy)1benzothiophene2carboxylate
MFCD03017874
ZINC000001069595
ZINC01069595
ZINC1069595

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Available files

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