Vitas-M small molecule compound

5-(azepan-1-ylmethyl)-2-hydroxy-3-({4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one

Catalog ID
STL320622
SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1c(O)occ(c1=O)CN1CCCCCC1

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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 C24H33N3O6S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O6S/c1-32-20-6-8-21(9-7-20)34(30,31)27-14-12-26(13-15-27)17-22-23(28)19(18-33-24(22)29)16-25-10-4-2-3-5-11-25/h6-9,18,29H,2-5,10-17H2,1H3
InChIKey
RQUDXYVKICQGLJ-UHFFFAOYSA-N
Synonyms

5(azepan1ylmethyl)2hydroxy3((4((4methoxyphenyl)sulfonyl)piperazin1yl)methyl)4Hpyran4one
MFCD22586051
ZINC000101372860

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Available files

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