Vitas-M small molecule compound
methyl 2-methyl-5-oxo-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173713
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1cccc(c1)C(F)(F)F)C(=O)CCC2
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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 C24H22F3NO5 MW 461.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3NO5/c1-13-20(23(30)31-2)22(21-17(28-13)7-4-8-18(21)29)19-10-9-16(33-19)12-32-15-6-3-5-14(11-15)24(25,26)27/h3,5-6,9-11,22,28H,4,7-8,12H2,1-2H3InChIKey
KFWGZPPBYQDVLT-UHFFFAOYSA-NSynonyms
445032-83-7445032837
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)COC4=CC=CC(=C4)C(F)(F)F)C(=O)OC
InChI=1SC24H22F3NO5c11320(23(30)312)22(2117(2813)74818(21)29)1910916(3319)12321563514(1115)24(2526)27h3569112228H47812H212H3
methyl2methyl5oxo4(5((3(trifluoromethyl)phenoxy)methyl)furan2yl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo4(5((3(trifluoromethyl)phenoxy)methyl)furan2yl)4678tetrahydro1Hquinoline3carboxylate
MFCD02243729
ZINC000001003001
ZINC000002769615
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