Vitas-M small molecule compound
(1S,5R)-3-[(6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-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
STL553430
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C30H34N4O6 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O6/c35-25-12-23(17-33-14-21-10-22(16-33)24-2-1-3-29(36)34(24)15-21)40-28(30(25)37)18-32-8-6-31(7-9-32)13-20-4-5-26-27(11-20)39-19-38-26/h1-5,11-12,21-22,37H,6-10,13-19H2/t21-,22+/m0/s1InChIKey
OBLBPEZLHUSAHF-FCHUYYIVSA-NSynonyms
(1R5S)3((6((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onedihydrochloride
(1S5R)3((6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC30H34N4O6c35251223(173314211022(1633)2421329(36)34(24)1521)4028(30(25)37)18328631(7932)1320452627(1120)39193826h151112212237H6101319H2t2122+m0s1
Oc1c(=O)cc(oc1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1ClCl
ZINC000225406348
Check stock
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