Vitas-M small molecule compound

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

Catalog ID
STK110779
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-7-6-8-14(9-13)23(26)27/h6-9,18,22H,5,10-11H2,1-4H3
InChIKey
SIDAFMLQSJERCM-UHFFFAOYSA-N
Synonyms
157870-56-9
157870569
CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
ethyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H24N2O5c152820(25)1712(2)22151021(34)1116(24)19(15)18(17)1376814(913)23(26)27h691822H51011H214H3
MFCD00356554
ZINC000003018616
ZINC000003018624

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Available files

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