Vitas-M small molecule compound
(1S,5R)-3-[(6-{[4-(2-chlorobenzyl)piperazin-1-yl]methyl}-5-hydroxy-1-methyl-4-oxo-1,4-dihydropyridin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL539120
SMILES Clc1ccccc1CN1CCN(CC1)Cc1n(C)c(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
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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 C30H36ClN5O3 MW 550.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36ClN5O3/c1-32-24(19-35-15-21-13-23(18-35)26-7-4-8-29(38)36(26)16-21)14-28(37)30(39)27(32)20-34-11-9-33(10-12-34)17-22-5-2-3-6-25(22)31/h2-8,14,21,23,39H,9-13,15-20H2,1H3/t21-,23+/m0/s1InChIKey
ONMHVCMZDDNGPD-JTHBVZDNSA-NSynonyms
(1R5S)3((6((4(2chlorobenzyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6((4(2chlorobenzyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1ccccc1CN1CCN(CC1)Cc1n(C)c(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC30H36ClN5O3c13224(193515211323(1835)2674829(38)36(26)1621)1428(37)30(39)27(32)203411933(101234)1722523625(22)31h2814212339H9131520H21H3t2123+m0s1
ZINC000085876299
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