Vitas-M small molecule compound
1-({4-[(4-chloro-2-nitrophenoxy)methyl]phenyl}carbonyl)octahydroquinolin-4(1H)-one
Catalog ID
STL172486
SMILES O=C1CCN(C2C1CCCC2)C(=O)c1ccc(cc1)COc1ccc(cc1[N+](=O)[O-])Cl
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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 C23H23ClN2O5 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O5/c24-17-9-10-22(20(13-17)26(29)30)31-14-15-5-7-16(8-6-15)23(28)25-12-11-21(27)18-3-1-2-4-19(18)25/h5-10,13,18-19H,1-4,11-12,14H2InChIKey
CYZUYGNTKLBRLG-UHFFFAOYSA-NSynonyms
866558-64-71((4((4chloro2nitrophenoxy)methyl)phenyl)carbonyl)octahydroquinolin4(1H)one
1(4((4chloro2nitrophenoxy)methyl)benzoyl)234a56788aoctahydroquinolin4one
866558647
C1CCC2C(C1)C(=O)CCN2C(=O)C3=CC=C(C=C3)COC4=C(C=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC23H23ClN2O5c241791022(20(1317)26(29)30)3114155716(8615)23(28)25121121(27)18312419(18)25h510131819H14111214H2
MFCD04139276
O=C1CCN(C2C1CCCC2)C(=O)c1ccc(cc1)COc1ccc(cc1(N+)(=O)(O))Cl
ZINC000036611223
ZINC000036611226
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