Vitas-M small molecule compound
ethyl 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173720
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)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 C27H27FN2O7 MW 510.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O7/c1-4-36-27(32)24-15(2)29-19-6-5-7-21(31)26(19)25(24)16-8-11-22(35-3)17(12-16)14-37-23-13-18(28)9-10-20(23)30(33)34/h8-13,25,29H,4-7,14H2,1-3H3InChIKey
WTWYYSMLYCVBKR-UHFFFAOYSA-NSynonyms
445242-41-1445242411
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)(N+)(=O)(O))C(=O)CCC2)C
ethyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H27FN2O7c143627(32)2415(2)291965721(31)26(19)25(24)1681122(353)17(1216)1437231318(28)91020(23)30(33)34h8132529H4714H213H3
MFCD02243927
ZINC000001003357
ZINC000001003358
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