Vitas-M small molecule compound
(1S,5R)-3-{[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-5-hydroxy-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
STL544829
SMILES Oc1c(=O)cc(oc1CN1CCc2c(C1)cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c31-24-11-22(16-29-12-18-10-21(15-29)23-6-3-7-26(32)30(23)13-18)34-25(27(24)33)17-28-9-8-19-4-1-2-5-20(19)14-28/h1-7,11,18,21,33H,8-10,12-17H2/t18-,21+/m0/s1InChIKey
FVAHCJAUZBVLNI-GHTZIAJQSA-NSynonyms
(1R5S)3((6((34dihydroisoquinolin2(1H)yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onedihydrochloride
(1S5R)3((6(34dihydroisoquinolin2(1H)ylmethyl)5hydroxy4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC27H29N3O4c31241122(162912181021(1529)2363726(32)30(23)1318)3425(27(24)33)17289819412520(19)1428h1711182133H8101217H2t1821+m0s1
Oc1c(=O)cc(oc1CN1CCc2c(C1)cccc2)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1ClCl
ZINC000225408799
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