Vitas-M small molecule compound

pentyl 2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK370771
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])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 C24H30N2O5 MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O5/c1-5-6-9-12-31-23(28)20-15(2)25-17-13-24(3,4)14-19(27)22(17)21(20)16-10-7-8-11-18(16)26(29)30/h7-8,10-11,21,25H,5-6,9,12-14H2,1-4H3
InChIKey
BTFMUFSBPLKRKS-UHFFFAOYSA-N
Synonyms
295343-87-2
295343872
CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC24H30N2O5c1569123123(28)2015(2)25171324(34)1419(27)22(17)21(20)1610781118(16)26(29)30h7810112125H5691214H214H3
MFCD00325302
pentyl277trimethyl4(2nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
pentyl277trimethyl4(2nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
ZINC000002066176
ZINC000002066177

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Available files

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