Vitas-M small molecule compound
6,7-dimethoxy-3-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]amino}-2-benzofuran-1(3H)-one
Catalog ID
STL177251
SMILES COc1ccc2c(c1OC)C(=O)OC2Nc1cc(OCC(F)(F)F)cc(c1)[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 C18H15F3N2O7 MW 428.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N2O7/c1-27-13-4-3-12-14(15(13)28-2)17(24)30-16(12)22-9-5-10(23(25)26)7-11(6-9)29-8-18(19,20)21/h3-7,16,22H,8H2,1-2H3InChIKey
UXUPRCSMKFICIL-UHFFFAOYSA-NSynonyms
832137-83-467dimethoxy3((3nitro5(222trifluoroethoxy)phenyl)amino)2benzofuran1(3H)one
67DIMETHOXY3(3NITRO5(222TRIFLUOROETHOXY)ANILINO)3H2BENZOFURAN1ONE
832137834
COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC(=CC(=C3)OCC(F)(F)F)(N+)(=O)(O))OC
COc1ccc2c(c1OC)C(=O)OC2Nc1cc(OCC(F)(F)F)cc(c1)(N+)(=O)(O)
InChI=1SC18H15F3N2O7c12713431214(15(13)282)17(24)3016(12)229510(23(25)26)711(69)29818(1920)21h371622H8H212H3
MFCD04052500
ZINC000002800636
ZINC000002800637
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