Vitas-M small molecule compound
ethyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate
Catalog ID
STK766656
SMILES CCOC(=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 C13H11F3N2O5S MW 364.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F3N2O5S/c1-2-22-12(19)11-10(17)9-7(23-5-13(14,15)16)3-6(18(20)21)4-8(9)24-11/h3-4H,2,5,17H2,1H3InChIKey
YBDUFKAQTUIKSS-UHFFFAOYSA-NSynonyms
3AMINO4(222TRIFLUOROETHOXY)6NITROBENZO(B)THIOPHENE2CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C2=C(C=C(C=C2S1)(N+)(=O)(O))OCC(F)(F)F)N
CCOC(=O)c1sc2c(c1N)c(OCC(F)(F)F)cc(c2)(N+)(=O)(O)
ethyl3amino6nitro4(222trifluoroethoxy)1benzothiophene2carboxylate
InChI=1SC13H11F3N2O5Sc122212(19)1110(17)97(23513(1415)16)36(18(20)21)48(9)2411h34H2517H21H3
MFCD03017875
ZINC000001069596
ZINC01069596
ZINC1069596
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