Vitas-M small molecule compound
(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl(4-hydroxy-6,7-dimethoxyquinolin-3-yl)methanone
Catalog ID
STL548746
SMILES COc1cc2c(cc1OC)ncc(c2O)C(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C27H33N3O4 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4/c1-33-23-12-19-21(13-24(23)34-2)28-14-20(26(19)31)27(32)30-9-5-6-16-10-17-11-18(25(16)30)15-29-8-4-3-7-22(17)29/h10,12-14,17-18,22,25H,3-9,11,15H2,1-2H3,(H,28,31)/t17-,18+,22+,25+/m0/s1InChIKey
OJSGVMBSSVKZEK-ATJZSOBBSA-NSynonyms
((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)(4hydroxy67dimethoxyquinolin3yl)methanone
(6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(4hydroxy67dimethoxyquinolin3yl)methanone
COc1cc2c(cc1OC)ncc(c2O)C(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC27H33N3O4c13323121921(1324(23)342)281420(26(19)31)27(32)309561610171118(25(16)30)1529843722(17)29h10121417182225H391115H212H3(H2831)t1718+22+25+m0s1
ZINC000263585964
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