Vitas-M small molecule compound
(1S,5R)-3-{[6-({4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl}methyl)-5-hydroxy-4-oxo-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
STL546324
SMILES Fc1ccc(cc1)OCCN1CCN(CC1)Cc1oc(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 C30H35FN4O5 MW 550.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35FN4O5/c31-23-4-6-24(7-5-23)39-13-12-32-8-10-33(11-9-32)20-28-30(38)27(36)15-25(40-28)19-34-16-21-14-22(18-34)26-2-1-3-29(37)35(26)17-21/h1-7,15,21-22,38H,8-14,16-20H2/t21-,22+/m0/s1InChIKey
YZJBUJCGVCNPKH-FCHUYYIVSA-NSynonyms
(1R5S)3((6((4(2(4fluorophenoxy)ethyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onedihydrochloride
(1S5R)3((6((4(2(4fluorophenoxy)ethyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Fc1ccc(cc1)OCCN1CCN(CC1)Cc1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1OClCl
InChI=1SC30H35FN4O5c31234624(7523)3913123281033(11932)202830(38)27(36)1525(4028)193416211422(1834)2621329(37)35(26)1721h1715212238H8141620H2t2122+m0s1
ZINC000253414897
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