Vitas-M small molecule compound

N-benzyl-3-{[(2E)-4-ethoxy-4-oxobut-2-en-2-yl]amino}-N,N-dimethylpropan-1-aminium

Catalog ID
STL043278
SMILES CCOC(=O)/C=C(/NCCC[N+](Cc1ccccc1)(C)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 C18H29N2O2 MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O2/c1-5-22-18(21)14-16(2)19-12-9-13-20(3,4)15-17-10-7-6-8-11-17/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3/p+1
InChIKey
AXLHEBMBAUQCEM-UHFFFAOYSA-O
Synonyms

(Z)Nbenzyl3((4ethoxy4oxobut2en2yl)amino)NNdimethylpropan1aminiumchloride
BENZYL(3(((E)4ETHOXY4OXOBUT2EN2YL)AMINO)PROPYL)DIMETHYLAZANIUM
benzyl(3(((Z)4ethoxy4oxobut2en2yl)amino)propyl)dimethylazanium
BENZYL(3((4ETHOXY4OXOBUT2EN2YL)AMINO)PROPYL)DIMETHYLAZANIUM
CCOC(=O)C=C(C)NCCC(N+)(C)(C)CC1=CC=CC=C1
CCOC(=O)C=C(NCCC(N+)(Cc1ccccc1)(C)C)C
CCOC(=O)C=C(NCCC(N+)(Cc1ccccc1)(C)C)C(Cl)
InChI=1SC18H28N2O2c152218(21)1416(2)191291320(34)1517107681117h68101114H59121315H214H3p+1
Nbenzyl3(((2E)4ethoxy4oxobut2en2yl)amino)NNdimethylpropan1aminium
NBENZYL3((3ETHOXY1METHYL3OXOPROP1EN1YL)AMINO)NNDIMETHYLPROPAN1AMINIUM
ZINC000003982509
ZINC03982509
ZINC3982509

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Available files

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