Vitas-M small molecule compound
(1S,5R)-3-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL536522
SMILES OCc1oc(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)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 C18H20N2O5 MW 344.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5/c21-10-13-5-15(22)18(24)16(25-13)9-19-6-11-4-12(8-19)14-2-1-3-17(23)20(14)7-11/h1-3,5,11-12,21,24H,4,6-10H2/t11-,12+/m1/s1InChIKey
BRBJJMKUWUWYJE-NEPJUHHUSA-NSynonyms
1380579-09-8(1~(S)9~(R))11((3hydroxy6(hydroxymethyl)4oxopyran2yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3((3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
1380579098
56723737
InChI=1SC18H20N2O5c211013515(22)18(24)16(2513)919611412(819)1421317(23)20(14)711h13511122124H4610H2t1112+m1s1
OCc1oc(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)c(c(=O)c1)O
ZINC000070666271
ZINC70666271
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