Vitas-M small molecule compound

1-methyl-1-[2-(octadecanoyloxy)-3-(2-oxopyrrolidin-1-yl)propyl]piperidinium

Catalog ID
STL298539
SMILES CCCCCCCCCCCCCCCCCC(=O)OC(C[N+]1(C)CCCCC1)CN1CCCC1=O

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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 C31H59N2O3 MW 507.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H59N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-31(35)36-29(27-32-24-21-22-30(32)34)28-33(2)25-19-17-20-26-33/h29H,3-28H2,1-2H3/q+1
InChIKey
PGARKKYAQUMKCE-UHFFFAOYSA-N
Synonyms

(1(1METHYLPIPERIDIN1IUM1YL)3(2OXOPYRROLIDIN1YL)PROPAN2YL)OCTADECANOATE
1methyl1(2(octadecanoyloxy)3(2oxopyrrolidin1yl)propyl)piperidinium
CCCCCCCCCCCCCCCCCC(=O)OC(C(N+)1(C)CCCCC1)CN1CCCC1=O
CCCCCCCCCCCCCCCCCC(=O)OC(CN1CCCC1=O)C(N+)2(CCCCC2)C
InChI=1SC31H59N2O3c1345678910111213141516182331(35)3629(273224212230(32)34)2833(2)251917202633h29H328H212H3q+1
MFCD02997736
ZINC000100796576
ZINC000100796578

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.