Vitas-M small molecule compound
ethyl 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173716
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)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 C29H31FN2O7 MW 538.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN2O7/c1-6-38-28(34)25-16(2)31-20-13-29(3,4)14-22(33)27(20)26(25)17-7-10-23(37-5)18(11-17)15-39-24-12-19(30)8-9-21(24)32(35)36/h7-12,26,31H,6,13-15H2,1-5H3InChIKey
CEZFFVOFGLKBOL-UHFFFAOYSA-NSynonyms
445242-37-5445242375
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
ethyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H31FN2O7c163828(34)2516(2)31201329(34)1422(33)27(20)26(25)1771023(375)18(1117)1539241219(30)8921(24)32(35)36h7122631H61315H215H3
MFCD02243917
ZINC000001003355
ZINC000002769825
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