Vitas-M small molecule compound
4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174366
SMILES COc1ccc(cc1COc1cc(F)ccc1[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)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 C33H33FN4O6 MW 600.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33FN4O6/c1-18-6-11-28(35-16-18)37-32(40)29-19(2)36-23-14-33(3,4)15-25(39)31(23)30(29)20-7-10-26(43-5)21(12-20)17-44-27-13-22(34)8-9-24(27)38(41)42/h6-13,16,30,36H,14-15,17H2,1-5H3,(H,35,37,40)InChIKey
AHVXJUBIJSHKKO-UHFFFAOYSA-NSynonyms
444934-36-54(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo145678hexahydroquinoline3carboxamide
4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo1468tetrahydroquinoline3carboxamide
444934365
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)OC)COC5=C(C=CC(=C5)F)(N+)(=O)(O))C(=O)CC(C3)(C)C)C
COc1ccc(cc1COc1cc(F)ccc1(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)C
InChI=1SC33H33FN4O6c11861128(351618)3732(40)2919(2)36231433(34)1525(39)31(23)30(29)2071026(435)21(1220)1744271322(34)8924(27)38(41)42h613163036H141517H215H3(H353740)
MFCD02607010
ZINC000100670263
ZINC000100670266
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.