Vitas-M small molecule compound
3-hydroxy-6-(hydroxymethyl)-2-({4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Catalog ID
STL244507
SMILES OCc1oc(CN2CCCN(CC2)c2ccc(cn2)C(F)(F)F)c(c(=O)c1)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 C18H20F3N3O4 MW 399.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F3N3O4/c19-18(20,21)12-2-3-16(22-9-12)24-5-1-4-23(6-7-24)10-15-17(27)14(26)8-13(11-25)28-15/h2-3,8-9,25,27H,1,4-7,10-11H2InChIKey
WSBITHVSHJAPCQ-UHFFFAOYSA-NSynonyms
1324098-20-51324098205
3hydroxy6(hydroxymethyl)2((4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)methyl)4Hpyran4one
3hydroxy6(hydroxymethyl)2((4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)methyl)pyran4one
C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC3=C(C(=O)C=C(O3)CO)O
InChI=1SC18H20F3N3O4c1918(2021)122316(22912)2451423(6724)101517(27)14(26)813(1125)2815h23892527H1471011H2
MFCD19712024
ZINC000071285733
ZINC71285733
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