Vitas-M small molecule compound
(4E)-N-benzyl-N,N-diethyl-5-hydroxy-4-(hydroxyimino)-5,5-diphenylpentan-1-aminium
Catalog ID
STL059306
SMILES O/N=C(/C(c1ccccc1)(c1ccccc1)O)\CCC[N+](Cc1ccccc1)(CC)CC
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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 C28H35N2O2 MW 431.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O2/c1-3-30(4-2,23-24-15-8-5-9-16-24)22-14-21-27(29-32)28(31,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,31H,3-4,14,21-23H2,1-2H3/p+1/b29-27+InChIKey
RDRXJUPAAVBLKZ-ORIPQNMZSA-OSynonyms
(4E)NbenzylNNdiethyl5hydroxy4(hydroxyimino)55diphenylpentan1aminium
(E)NbenzylNNdiethyl5hydroxy4(hydroxyimino)55diphenylpentan1aminiumchloride
benzyldiethyl((4E)5hydroxy4hydroxyimino55diphenylpentyl)azanium
CC(N+)(CC)(CCCC(=NO)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC3=CC=CC=C3
InChI=1SC28H34N2O2c1330(422324158591624)22142127(2932)28(312517106111825)2619127132026h513152031H34142123H212H3p+1b2927+
ON=C(C(c1ccccc1)(c1ccccc1)O)CCC(N+)(Cc1ccccc1)(CC)CC
ON=C(C(c1ccccc1)(c1ccccc1)O)CCC(N+)(Cc1ccccc1)(CC)CC(Cl)
ZINC000004808267
ZINC103594353
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