Vitas-M small molecule compound
(1S,5R)-3-[(6-{[4-(3-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
STL538950
SMILES Clc1cccc(c1)CN1CCN(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/c1-32-25(19-35-16-22-12-23(18-35)26-6-3-7-29(38)36(26)17-22)14-28(37)30(39)27(32)20-34-10-8-33(9-11-34)15-21-4-2-5-24(31)13-21/h2-7,13-14,22-23,39H,8-12,15-20H2,1H3/t22-,23+/m0/s1InChIKey
LAFUCBJSKQCBBO-XZOQPEGZSA-NSynonyms
(1R5S)3((6((4(3chlorobenzyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6((4(3chlorobenzyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1cccc(c1)CN1CCN(CC1)Cc1n(C)c(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC30H36ClN5O3c13225(193516221223(1835)2663729(38)36(26)1722)1428(37)30(39)27(32)203410833(91134)152142524(31)1321h271314222339H8121520H21H3t2223+m0s1
ZINC000085878203
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