Vitas-M small molecule compound

6-methyl 3-propan-2-yl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404482
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)[N+](=O)[O-])C)C(=C(N2)C)C(=O)OC(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 C24H28N2O7 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7/c1-11(2)33-24(29)19-14(5)25-16-9-13(4)18(23(28)32-6)22(27)21(16)20(19)15-8-7-12(3)17(10-15)26(30)31/h7-8,10-11,13,18,20,25H,9H2,1-6H3
InChIKey
QSKPBKCTDZXCHQ-UHFFFAOYSA-N
Synonyms
677331-22-5
677331225
6methyl3propan2yl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)(N+)(=O)(O))C)C(=C(N2)C)C(=O)OC(C)C
InChI=1SC24H28N2O7c111(2)3324(29)1914(5)2516913(4)18(23(28)326)22(27)21(16)20(19)158712(3)17(1015)26(30)31h78101113182025H9H216H3
MFCD04226242
ZINC000004767187
ZINC000018021076

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Available files

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