Vitas-M small molecule compound

1-(9H-fluoren-9-ylmethoxy)-3-methyl-1-oxobutan-2-aminium 4-methylbenzenesulfonate

Catalog ID
STK014396
SMILES CC(C(C(=O)OCC1c2ccccc2c2c1cccc2)[NH3+])C.Cc1ccc(cc1)S(=O)(=O)[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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO2.C7H8O3S/c1-12(2)18(20)19(21)22-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,12,17-18H,11,20H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey
LVDROCVLEIANJS-UHFFFAOYSA-N
Synonyms

(1(9Hfluoren9ylmethoxy)3methyl1oxobutan2yl)azanium4methylbenzenesulfonate
1(9HFLUOREN9YLMETHOXY)3METHYL1OXOBUTAN2AMINIUM4METHYLBENZENESULFONATE
CC(C(C(=O)OCC1c2ccccc2c2c1cccc2)(NH3+))CCc1ccc(cc1)S(=O)(=O)(O)
CC1=CC=C(C=C1)S(=O)(=O)(O)CC(C)C(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)(NH3+)
InChI=1SC19H21NO2C7H8O3Sc112(2)18(20)19(21)22111715953713(15)148461016(14)1716247(536)11(89)10h310121718H1120H212H325H1H3(H8910)
MFCD04093131
STK014396
ZINC000006049867
ZINC000006049958

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Available files

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