Vitas-M small molecule compound

1,4-bis[2-(decyloxy)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octane

Catalog ID
STL327032
SMILES CCCCCCCCCCOC(=O)C[N+]12CC[N+](CC1)(CC2)CC(=O)OCCCCCCCCCC

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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 C30H58N2O4 MW 510.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H58N2O4/c1-3-5-7-9-11-13-15-17-25-35-29(33)27-31-19-22-32(23-20-31,24-21-31)28-30(34)36-26-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3/q+2
InChIKey
AEKIPUILMRMPFK-UHFFFAOYSA-N
Synonyms

14bis(2(decyloxy)2oxoethyl)14diazabicyclo(222)octane14diiumchloride
14bis(2(decyloxy)2oxoethyl)14diazoniabicyclo(222)octane
CCCCCCCCCCOC(=O)C(N+)12CC(N+)(CC1)(CC2)CC(=O)OCCCCCCCCCC
CCCCCCCCCCOC(=O)C(N+)12CC(N+)(CC1)(CC2)CC(=O)OCCCCCCCCCC(Cl)(Cl)
DECYL2(4(2DECOXY2OXOETHYL)14DIAZONIABICYCLO(222)OCTAN1YL)ACETATE
InChI=1SC30H58N2O4c1357911131517253529(33)2731192232(232031242131)2830(34)362618161412108642h328H212H3q+2
MFCD01088120
ZINC000100710424
ZINC100710424

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Available files

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