Vitas-M small molecule compound
methyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173043
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)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 C29H30F3NO5 MW 529.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30F3NO5/c1-16-24(27(35)37-5)25(26-20(33-16)13-28(2,3)14-21(26)34)18-9-10-22(23(12-18)36-4)38-15-17-7-6-8-19(11-17)29(30,31)32/h6-12,25,33H,13-15H2,1-5H3InChIKey
IPWHDSCSOVFKGK-UHFFFAOYSA-NSynonyms
398136-10-2398136102
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)OC)C(=O)OC
InChI=1SC29H30F3NO5c11624(27(35)375)25(2620(3316)1328(23)1421(26)34)1891022(23(1218)364)38151776819(1117)29(3031)32h6122533H1315H215H3
methyl4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((3(trifluoromethyl)phenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175143
ZINC000000673593
ZINC000000673597
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