Vitas-M small molecule compound
2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402516
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OCC(C)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 C28H30N2O6 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6/c1-16(2)15-36-28(32)25-17(3)29-23-13-20(18-8-10-22(35-4)11-9-18)14-24(31)27(23)26(25)19-6-5-7-21(12-19)30(33)34/h5-12,16,20,26,29H,13-15H2,1-4H3InChIKey
WGDSMXVQUOJQML-UHFFFAOYSA-NSynonyms
2methylpropyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC(C)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OCC(C)C)C
InChI=1SC28H30N2O6c116(2)153628(32)2517(3)29231320(1881022(354)11918)1424(31)27(23)26(25)1965721(1219)30(33)34h51216202629H1315H214H3
MFCD01824385
ZINC000000861396
ZINC000000861399
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