Vitas-M small molecule compound
(1E)-4,4,6-trimethyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]imino}-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate
Catalog ID
STK203569
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1cc2/C(=N\c3cccc(c3)C(F)(F)F)/C(=O)N3c2c(c1)C(=CC3(C)C)C
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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 C31H27F3N2O6 MW 580.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27F3N2O6/c1-16-15-30(2,3)36-26-21(16)13-20(42-29(38)17-10-23(39-4)27(41-6)24(11-17)40-5)14-22(26)25(28(36)37)35-19-9-7-8-18(12-19)31(32,33)34/h7-15H,1-6H3/b35-25+InChIKey
NSXIXMMQLFYNTG-KVQDIILNSA-NSynonyms
(1E)446trimethyl2oxo1((3(trifluoromethyl)phenyl)imino)12dihydro4Hpyrrolo(321ij)quinolin8yl345trimethoxybenzoate
COc1cc(cc(c1OC)OC)C(=O)Oc1cc2C(=Nc3cccc(c3)C(F)(F)F)C(=O)N3c2c(c1)C(=CC3(C)C)C
MFCD06650181
ZINC000100978619
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