Vitas-M small molecule compound

methyl 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK757119
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)C(F)(F)F)C(=O)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 C27H27F3N2O4 MW 500.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N2O4/c1-26(2)13-19-22(20(33)14-26)21(15-8-10-18(35-3)11-9-15)23(25(34)36-4)24(31)32(19)17-7-5-6-16(12-17)27(28,29)30/h5-12,21H,13-14,31H2,1-4H3
InChIKey
PUOHQOKYFYRFLZ-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C(=O)OC)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC27H27F3N2O4c126(2)131922(20(33)1426)21(1581018(353)11915)23(25(34)364)24(31)32(19)1775616(1217)27(2829)30h51221H131431H214H3
methyl2amino4(4methoxyphenyl)77dimethyl5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(4METHOXYPHENYL)77DIMETHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01240627
ZINC000002188668
ZINC000002188669

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Available files

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