Vitas-M small molecule compound
methyl 4-{4-[(3-fluorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173075
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)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 C27H27FN2O6 MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O6/c1-15-23(26(32)35-4)24(25-19(29-15)12-27(2,3)13-21(25)31)17-8-9-22(20(11-17)30(33)34)36-14-16-6-5-7-18(28)10-16/h5-11,24,29H,12-14H2,1-4H3InChIKey
UIOMBLOSNYYXML-UHFFFAOYSA-NSynonyms
397875-12-6397875126
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)F)C(=O)CC(C2)(C)C
InChI=1SC27H27FN2O6c11523(26(32)354)24(2519(2915)1227(23)1321(25)31)178922(20(1117)30(33)34)36141665718(28)1016h5112429H1214H214H3
methyl4(4((3fluorobenzyl)oxy)3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((3fluorophenyl)methoxy)3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175209
ZINC000000654778
ZINC000000654780
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