Vitas-M small molecule compound
ethyl 4-{[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinolin-4-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STL320116
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cn(c2cc(F)c(c(c2)F)F)c(=O)c2c1cccc2
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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 C23H20F3N3O4 MW 459.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3O4/c1-2-33-23(32)28-9-7-27(8-10-28)21(30)17-13-29(14-11-18(24)20(26)19(25)12-14)22(31)16-6-4-3-5-15(16)17/h3-6,11-13H,2,7-10H2,1H3InChIKey
KFZOGOQYBDATKC-UHFFFAOYSA-NSynonyms
1435904-62-31435904623
CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C(=C4)F)F)F
ethyl4((1oxo2(345trifluorophenyl)12dihydroisoquinolin4yl)carbonyl)piperazine1carboxylate
ethyl4(1oxo2(345trifluorophenyl)12dihydroisoquinoline4carbonyl)piperazine1carboxylate
ethyl4(1oxo2(345trifluorophenyl)isoquinoline4carbonyl)piperazine1carboxylate
InChI=1SC23H20F3N3O4c123323(32)289727(81028)21(30)171329(141118(24)20(26)19(25)1214)22(31)16643515(16)17h361113H2710H21H3
MFCD23138074
ZINC000095480579
ZINC95480579
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