Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK316013
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C
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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 C28H27F3N2O6 MW 544.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F3N2O6/c1-15-23(26(35)38-4)24(25-19(32-15)12-27(2,3)13-21(25)34)17-8-9-22(20(11-17)33(36)37)39-14-16-6-5-7-18(10-16)28(29,30)31/h5-11,24,32H,12-14H2,1-4H3InChIKey
JOYRNJNCUATLTR-UHFFFAOYSA-NSynonyms
380647-39-2380647392
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C
InChI=1SC28H27F3N2O6c11523(26(35)384)24(2519(3215)1227(23)1321(25)34)178922(20(1117)33(36)37)39141665718(1016)28(2930)31h5112432H1214H214H3
methyl277trimethyl4(3nitro4((3(trifluoromethyl)benzyl)oxy)phenyl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(3nitro4((3(trifluoromethyl)phenyl)methoxy)phenyl)5oxo1468tetrahydroquinoline3carboxylate
MFCD02175346
ZINC000000716022
ZINC000002759658
Check stock
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Check stock on Vitas-MAvailable files
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