Vitas-M small molecule compound

3-[(4-fluorophenyl)carbonyl]-4-{[4-(propan-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl}-1-benzofuran-5-olate

Catalog ID
STL491200
SMILES Fc1ccc(cc1)C(=O)c1coc2c1c(C[NH+]1CCN(CC1)S(=O)(=O)C(C)C)c(cc2)[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 C23H25FN2O5S MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O5S/c1-15(2)32(29,30)26-11-9-25(10-12-26)13-18-20(27)7-8-21-22(18)19(14-31-21)23(28)16-3-5-17(24)6-4-16/h3-8,14-15,27H,9-13H2,1-2H3
InChIKey
OASHKGMTWXTSRT-UHFFFAOYSA-N
Synonyms

3((4fluorophenyl)carbonyl)4((4(propan2ylsulfonyl)piperazin1ium1yl)methyl)1benzofuran5olate
Fc1ccc(cc1)C(=O)c1coc2c1c(C(NH+)1CCN(CC1)S(=O)(=O)C(C)C)c(cc2)(O)
MFCD30346089
ZINC000263588020

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Available files

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