Vitas-M small molecule compound
6-(azepan-1-ylmethyl)-3-hydroxy-2-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Catalog ID
STL422556
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)S(=O)(=O)C)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 C18H29N3O5S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N3O5S/c1-27(24,25)21-10-8-20(9-11-21)14-17-18(23)16(22)12-15(26-17)13-19-6-4-2-3-5-7-19/h12,23H,2-11,13-14H2,1H3InChIKey
QYRYFVYGZPPWHG-UHFFFAOYSA-NSynonyms
1630903-06-81630903068
6(azepan1ylmethyl)3hydroxy2((4(methylsulfonyl)piperazin1yl)methyl)4Hpyran4one
6(azepan1ylmethyl)3hydroxy2((4methylsulfonylpiperazin1yl)methyl)pyran4one
CS(=O)(=O)N1CCN(CC1)CC2=C(C(=O)C=C(O2)CN3CCCCCC3)O
InChI=1SC18H29N3O5Sc127(2425)2110820(91121)141718(23)16(22)1215(2617)131964235719h1223H2111314H21H3
MFCD28367695
ZINC000218297416
ZINC218297416
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