Vitas-M small molecule compound

1-benzyl-1-[4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl]-3-phenylpyrrolidinium

Catalog ID
STK729192
SMILES OC1(CC#CC[N+]2(CCC(C2)c2ccccc2)Cc2ccccc2)c2ccccc2c2c1cccc2

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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 C34H32NO MW 470.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32NO/c36-34(32-19-9-7-17-30(32)31-18-8-10-20-33(31)34)22-11-12-23-35(25-27-13-3-1-4-14-27)24-21-29(26-35)28-15-5-2-6-16-28/h1-10,13-20,29,36H,21-26H2/q+1
InChIKey
XZLPSADMVMLMJD-UHFFFAOYSA-N
Synonyms

1benzyl1(4(9hydroxy9Hfluoren9yl)but2yn1yl)3phenylpyrrolidin1iumchloride
1benzyl1(4(9hydroxy9Hfluoren9yl)but2yn1yl)3phenylpyrrolidinium
1BENZYL1(4(9HYDROXY9HFLUOREN9YL)BUT2YNYL)3PHENYLPYRROLIDINIUM
9(4(1BENZYL3PHENYLPYRROLIDIN1IUM1YL)BUT2YNYL)FLUOREN9OL
9(4(3PHENYL1BENZYLPYRROLIDINYL)BUT2YNYL)FLUOREN9OL
C1C(N+)(CC1C2=CC=CC=C2)(CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O)CC6=CC=CC=C6
InChI=1SC34H32NOc3634(3219971730(32)31188102033(31)34)2211122335(2527133141427)242129(2635)28155261628h11013202936H2126H2q+1
MFCD02240830
OC1(CC#CC(N+)2(CCC(C2)c2ccccc2)Cc2ccccc2)c2ccccc2c2c1cccc2
OC1(CC#CC(N+)2(CCC(C2)c2ccccc2)Cc2ccccc2)c2ccccc2c2c1cccc2(Cl)
ZINC000239433558
ZINC000239433561

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Available files

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