Vitas-M small molecule compound
(1S,5S)-3-[(6-{[benzyl(methyl)amino]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
STL538938
SMILES CN(Cc1n(C)c(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)Cc1ccccc1
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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 C27H32N4O3 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O3/c1-28(13-19-7-4-3-5-8-19)18-24-27(34)25(32)12-22(29(24)2)17-30-14-20-11-21(16-30)23-9-6-10-26(33)31(23)15-20/h3-10,12,20-21,34H,11,13-18H2,1-2H3/t20-,21+/m0/s1InChIKey
AZOVDONMMZHDQV-LEWJYISDSA-NSynonyms
(1R5S)3((6((benzyl(methyl)amino)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((6((benzyl(methyl)amino)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CN(Cc1n(C)c(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)Cc1ccccc1
InChI=1SC27H32N4O3c128(13197435819)182427(34)25(32)1222(29(24)2)173014201121(1630)23961026(33)31(23)1520h31012202134H111318H212H3t2021+m0s1
ZINC000085874985
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