Vitas-M small molecule compound
ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL174311
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)C(=O)CCC2
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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 C27H26F3NO6 MW 517.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO6/c1-3-35-26(33)24-22(23-19(32)8-5-9-21(23)37-25(24)31)15-10-11-20(34-2)16(12-15)14-36-18-7-4-6-17(13-18)27(28,29)30/h4,6-7,10-13,22H,3,5,8-9,14,31H2,1-2H3InChIKey
NTDQERMYUJOQEX-UHFFFAOYSA-NSynonyms
445237-91-2445237912
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)CCC2)N
ethyl2amino4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC27H26F3NO6c133526(33)2422(2319(32)85921(23)3725(24)31)15101120(342)16(1215)14361874617(1318)27(2829)30h467101322H35891431H212H3
MFCD02609385
ZINC000000649519
ZINC000000649520
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