Vitas-M small molecule compound
butyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371163
SMILES CCCCOC(=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 C23H28N2O5 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5/c1-5-6-10-30-22(27)19-14(2)24-17-12-23(3,4)13-18(26)21(17)20(19)15-8-7-9-16(11-15)25(28)29/h7-9,11,20,24H,5-6,10,12-13H2,1-4H3InChIKey
TZACTEIBXOCVDE-UHFFFAOYSA-NSynonyms
butyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
butyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC23H28N2O5c156103022(27)1914(2)24171223(34)1318(26)21(17)20(19)1587916(1115)25(28)29h79112024H56101213H214H3
MFCD00335374
ZINC000003150601
ZINC000003150602
Check stock
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Check stock on Vitas-MAvailable files
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