Vitas-M small molecule compound
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756445
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F
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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 C27H25F3N2O5 MW 514.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N2O5/c1-26(2)11-17-22(18(33)12-26)21(14-8-9-19-20(10-14)37-13-36-19)23(25(34)35-3)24(31)32(17)16-7-5-4-6-15(16)27(28,29)30/h4-10,21H,11-13,31H2,1-3H3InChIKey
OAEPBKKFUZHZKL-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C(=O)OC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC27H25F3N2O5c126(2)111722(18(33)1226)21(14891920(1014)37133619)23(25(34)353)24(31)32(17)16754615(16)27(2829)30h41021H111331H213H3
methyl2amino4(13benzodioxol5yl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(13BENZODIOXOL5YL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01240625
ZINC000000714658
ZINC000000714659
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