Vitas-M small molecule compound
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
Catalog ID
STK604184
SMILES OCc1oc(CN2CCCCCC2)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 C13H19NO4 MW 253.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19NO4/c15-9-10-7-11(16)13(17)12(18-10)8-14-5-3-1-2-4-6-14/h7,15,17H,1-6,8-9H2InChIKey
QLWYDWXGHATMCT-UHFFFAOYSA-NSynonyms
919723-55-02(azepan1ium1ylmethyl)6(hydroxymethyl)4oxopyran3olate
2(azepan1ylmethyl)3hydroxy6(hydroxymethyl)4Hpyran4one
919723550
C1CCC(NH+)(CC1)CC2=C(C(=O)C=C(O2)CO)(O)
InChI=1SC13H19NO4c15910711(16)13(17)12(1810)81453124614h71517H1689H2
MFCD08749948
ZINC000013653509
ZINC13653509
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