Vitas-M small molecule compound
6-(azepan-1-ylmethyl)-3-hydroxy-2-{[4-(propan-2-ylsulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Catalog ID
STL494864
SMILES O=c1cc(CN2CCCCCC2)oc(c1O)CN1CCN(CC1)S(=O)(=O)C(C)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 C20H33N3O5S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H33N3O5S/c1-16(2)29(26,27)23-11-9-22(10-12-23)15-19-20(25)18(24)13-17(28-19)14-21-7-5-3-4-6-8-21/h13,16,25H,3-12,14-15H2,1-2H3InChIKey
SFSSOYIBWMJVSS-UHFFFAOYSA-NSynonyms
6(azepan1ylmethyl)3hydroxy2((4(isopropylsulfonyl)piperazin1yl)methyl)4Hpyran4one
6(azepan1ylmethyl)3hydroxy2((4(propan2ylsulfonyl)piperazin1yl)methyl)4Hpyran4one
6(azepan1ylmethyl)3hydroxy2((4propan2ylsulfonylpiperazin1yl)methyl)pyran4one
CC(C)S(=O)(=O)N1CCN(CC1)CC2=C(C(=O)C=C(O2)CN3CCCCCC3)O
InChI=1SC20H33N3O5Sc116(2)29(2627)2311922(101223)151920(25)18(24)1317(2819)142175346821h131625H3121415H212H3
MFCD29058088
ZINC000253412846
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