Vitas-M small molecule compound
butan-2-yl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091553
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)(C)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 C24H28F3NO3 MW 435.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28F3NO3/c1-6-13(2)31-22(30)19-14(3)28-17-11-23(4,5)12-18(29)21(17)20(19)15-7-9-16(10-8-15)24(25,26)27/h7-10,13,20,28H,6,11-12H2,1-5H3InChIKey
IEZGPYRAYNHBCB-UHFFFAOYSA-NSynonyms
butan2yl277trimethyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
butan2yl277trimethyl5oxo4(4(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(F)(F)F)C(=O)CC(C2)(C)C)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)(C)C)C
InChI=1SC24H28F3NO3c1613(2)3122(30)1914(3)28171123(45)1218(29)21(17)20(19)157916(10815)24(2526)27h710132028H61112H215H3
MFCD02188156
STK091553
ZINC000001213028
ZINC000001213038
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