Vitas-M small molecule compound
N-(2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)-N,N-dimethyltricyclo[3.3.1.1~3,7~]decan-1-aminium
Catalog ID
STK805521
SMILES COc1cc(/C=C/C(=O)OCC[N+](C23CC4CC(C3)CC(C2)C4)(C)C)ccc1OC
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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 C25H36NO4 MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36NO4/c1-26(2,25-15-19-11-20(16-25)13-21(12-19)17-25)9-10-30-24(27)8-6-18-5-7-22(28-3)23(14-18)29-4/h5-8,14,19-21H,9-13,15-17H2,1-4H3/q+1/b8-6+InChIKey
YFVFIYUWTOMHFD-SOFGYWHQSA-NSynonyms
(1s3s)N(2(((E)3(34dimethoxyphenyl)acryloyl)oxy)ethyl)NNdimethyladamantan1aminiumiodide
1ADAMANTYL(2((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)OXYETHYL)DIMETHYLAZANIUM
2(ADAMANTANYLDIMETHYLAMINO)ETHYL(2E)3(34DIMETHOXYPHENYL)PROP2ENOATE
C(N+)(C)(CCOC(=O)C=CC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3
COc1cc(C=CC(=O)OCC(N+)(C23CC4CC(C3)CC(C2)C4)(C)C)ccc1OC
COc1cc(C=CC(=O)OCC(N+)(C23CC4CC(C3)CC(C2)C4)(C)C)ccc1OC(I)
InChI=1SC25H36NO4c126(22515191120(1625)1321(1219)1725)9103024(27)86185722(283)23(1418)294h58141921H9131517H214H3q+1b86+
N(2(((2E)3(34dimethoxyphenyl)prop2enoyl)oxy)ethyl)NNdimethyltricyclo(3311~37~)decan1aminium
ZINC000004837546
ZINC04837546
ZINC4837546
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.