Vitas-M small molecule compound
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutyl]-1-methyl-3-phenylpyrrolidinium
Catalog ID
STK699628
SMILES O=C(c1ccc2c(c1)OCCO2)CCC[N+]1(C)CCC(C1)c1ccccc1
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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 C23H28NO3 MW 366.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28NO3/c1-24(13-11-20(17-24)18-6-3-2-4-7-18)12-5-8-21(25)19-9-10-22-23(16-19)27-15-14-26-22/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3/q+1InChIKey
ZGCCWLQRVUYKHK-UHFFFAOYSA-NSynonyms
1(23DIHYDRO14BENZODIOXIN6YL)4(1METHYL3PHENYLPYRROLIDIN1IUM1YL)BUTAN1ONE
1(4(23dihydro14benzodioxin6yl)4oxobutyl)1methyl3phenylpyrrolidinium
1(4(23dihydrobenzo(b)(14)dioxin6yl)4oxobutyl)1methyl3phenylpyrrolidin1iumiodide
C(N+)1(CCC(C1)C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC23H28NO3c124(131120(1724)186324718)125821(25)199102223(1619)2715142622h24679101620H58111517H21H3q+1
MFCD03000462
O=C(c1ccc2c(c1)OCCO2)CCC(N+)1(C)CCC(C1)c1ccccc1
O=C(c1ccc2c(c1)OCCO2)CCC(N+)1(C)CCC(C1)c1ccccc1(I)
ZINC000245257386
ZINC000245257389
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