Vitas-M small molecule compound
(1S,5R)-3-({5-hydroxy-4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-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
STL539466
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)c1ccccc1)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 C28H32N4O4 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4/c33-25-14-23(18-30-15-20-13-21(17-30)24-7-4-8-27(34)32(24)16-20)36-26(28(25)35)19-29-9-11-31(12-10-29)22-5-2-1-3-6-22/h1-8,14,20-21,35H,9-13,15-19H2/t20-,21+/m0/s1InChIKey
YQFGMWJPCOERGA-LEWJYISDSA-NSynonyms
(1R5S)3((5hydroxy4oxo6((4phenylpiperazin1yl)methyl)4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5hydroxy4oxo6((4phenylpiperazin1yl)methyl)4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC28H32N4O4c33251423(183015201321(1730)2474827(34)32(24)1620)3626(28(25)35)192991131(121029)225213622h1814202135H9131519H2t2021+m0s1
Oc1c(=O)cc(oc1CN1CCN(CC1)c1ccccc1)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000085876291
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