Vitas-M small molecule compound
dimethyl 2-amino-1-(3-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683694
SMILES COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2c1cccc(c1)F)N)C(=O)OC)c1ccccc1C(F)(F)F)c1ccc(cc1)OC
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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 C33H28F4N2O6 MW 624.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28F4N2O6/c1-43-20-13-11-17(12-14-20)22-16-24-27(29(40)26(22)31(41)44-2)25(21-9-4-5-10-23(21)33(35,36)37)28(32(42)45-3)30(38)39(24)19-8-6-7-18(34)15-19/h4-15,22,25-26H,16,38H2,1-3H3InChIKey
SFZAADYGRHRXBF-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC(=CC=C4)F)N)C(=O)OC)C5=CC=CC=C5C(F)(F)F)C(=O)C2C(=O)OC
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4(2(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H28F4N2O6c14320131117(121420)22162427(29(40)26(22)31(41)442)25(219451023(21)33(3536)37)28(32(42)453)30(38)39(24)1986718(34)1519h415222526H1638H213H3
MFCD05258571
ZINC000100160502
ZINC000100160511
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