Vitas-M small molecule compound

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

Catalog ID
STL036680
SMILES CCOC(=O)c1c(C)nc2c(c1c1ccc(cc1)[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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-9H,5,10-11H2,1-4H3
InChIKey
LJVPXHCPOSBBLM-UHFFFAOYSA-N
Synonyms
307343-33-5
307343335
CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=C(C=C3)(N+)(=O)(O))(C)C)C
CCOC(=O)c1c(C)nc2c(c1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ethyl277trimethyl4(4nitrophenyl)5oxo5678tetrahydroquinoline3carboxylate
ETHYL277TRIMETHYL4(4NITROPHENYL)5OXO68DIHYDROQUINOLINE3CARBOXYLATE
InChI=1SC21H22N2O5c152820(25)1712(2)22151021(34)1116(24)19(15)18(17)136814(9713)23(26)27h69H51011H214H3
MFCD00846119
ZINC000000829360
ZINC00829360
ZINC829360

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Available files

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