Vitas-M small molecule compound

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

Catalog ID
STK051982
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].CCC(C(C(=O)OCC1c2ccccc2c2c1cccc2)[NH3+])C

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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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO2.C7H8O3S/c1-3-13(2)19(21)20(22)23-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13,18-19H,3,12,21H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey
UUILGWQYFNPLBK-UHFFFAOYSA-N
Synonyms

(1(9Hfluoren9ylmethoxy)3methyl1oxopentan2yl)azanium4methylbenzenesulfonate
1(9HFLUOREN9YLMETHOXY)3METHYL1OXOPENTAN2AMINIUM4METHYLBENZENESULFONATE
Cc1ccc(cc1)S(=O)(=O)(O)CCC(C(C(=O)OCC1c2ccccc2c2c1cccc2)(NH3+))C
CCC(C)C(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)(NH3+)CC1=CC=C(C=C1)S(=O)(=O)(O)
InChI=1SC20H23NO2C7H8O3Sc1313(2)19(21)20(22)231218161064814(16)159571117(15)1816247(536)11(89)10h411131819H31221H212H325H1H3(H8910)
MFCD04093132
STK051982
ZINC000006554895
ZINC000006555314

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Available files

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