Vitas-M small molecule compound
cyclohexyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372424
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2)OC1CCCCC1
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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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-14-20(23(27)30-17-9-3-2-4-10-17)21(15-7-5-8-16(13-15)25(28)29)22-18(24-14)11-6-12-19(22)26/h5,7-8,13,17,21,24H,2-4,6,9-12H2,1H3InChIKey
YABZYBXDMKEBAG-UHFFFAOYSA-NSynonyms
299453-42-2299453422
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H26N2O5c11420(23(27)301793241017)21(1575816(1315)25(28)29)2218(2414)1161219(22)26h57813172124H246912H21H3
MFCD00771191
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)OC1CCCCC1
ZINC000019731687
ZINC000019731689
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