Vitas-M small molecule compound

propyl 7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402995
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC

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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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-4-12-35-27(31)24-16(2)28-21-14-18(20-10-5-6-11-23(20)34-3)15-22(30)26(21)25(24)17-8-7-9-19(13-17)29(32)33/h5-11,13,18,25,28H,4,12,14-15H2,1-3H3
InChIKey
CGYIECZMEFDUEN-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC27H28N2O6c14123527(31)2416(2)28211418(2010561123(20)343)1522(30)26(21)25(24)1787919(1317)29(32)33h51113182528H4121415H213H3
MFCD03371016
propyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002772134
ZINC000002772137

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Available files

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