Vitas-M small molecule compound
6,7-dimethoxy-3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
Catalog ID
STL342437
SMILES COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C17H13F3N2O6 MW 398.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N2O6/c1-26-12-6-4-9-13(14(12)27-2)16(23)28-15(9)21-10-5-3-8(17(18,19)20)7-11(10)22(24)25/h3-7,15,21H,1-2H3InChIKey
RNNLNRNOVHPNEB-UHFFFAOYSA-NSynonyms
552285-14-0552285140
67dimethoxy3((2nitro4(trifluoromethyl)phenyl)amino)2benzofuran1(3H)one
67dimethoxy3((2nitro4(trifluoromethyl)phenyl)amino)isobenzofuran1(3H)one
67DIMETHOXY3(2NITRO4(TRIFLUOROMETHYL)ANILINO)3H2BENZOFURAN1ONE
COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))OC
COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC17H13F3N2O6c1261264913(14(12)272)16(23)2815(9)2110538(17(1819)20)711(10)22(24)25h371521H12H3
MFCD02988842
ZINC000005139433
ZINC000005139449
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