Vitas-M small molecule compound
ethyl 4-{4-[(3-fluorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK968157
SMILES CCOC(=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 C28H29FN2O6 MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN2O6/c1-5-36-27(33)24-16(2)30-20-13-28(3,4)14-22(32)26(20)25(24)18-9-10-23(21(12-18)31(34)35)37-15-17-7-6-8-19(29)11-17/h6-12,25,30H,5,13-15H2,1-4H3InChIKey
MBRLZKVEBLOBJJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)F)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
ethyl4(4((3fluorobenzyl)oxy)3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((3fluorophenyl)methoxy)3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H29FN2O6c153627(33)2416(2)30201328(34)1422(32)26(20)25(24)1891023(21(1218)31(34)35)37151776819(29)1117h6122530H51315H214H3
MFCD02175011
ZINC000002758429
ZINC000002758430
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