Vitas-M small molecule compound
(1S,5R)-3-{[6-({4-[2-(4-fluorophenoxy)ethyl]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
STL539846
SMILES Fc1ccc(cc1)OCCN1CCN(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 C31H38FN5O4 MW 563.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38FN5O4/c1-33-25(20-36-17-22-15-23(19-36)27-3-2-4-30(39)37(27)18-22)16-29(38)31(40)28(33)21-35-11-9-34(10-12-35)13-14-41-26-7-5-24(32)6-8-26/h2-8,16,22-23,40H,9-15,17-21H2,1H3/t22-,23+/m0/s1InChIKey
PMRVMNPDOIPRHP-XZOQPEGZSA-NSynonyms
(1R5S)3((6((4(2(4fluorophenoxy)ethyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6((4(2(4fluorophenoxy)ethyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Fc1ccc(cc1)OCCN1CCN(CC1)Cc1n(C)c(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC31H38FN5O4c13325(203617221523(1936)2732430(39)37(27)1822)1629(38)31(40)28(33)213511934(101235)131441267524(32)6826h2816222340H9151721H21H3t2223+m0s1
ZINC000085879680
Check stock
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