Vitas-M small molecule compound
(6R,6aR,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-6,8-dimethylquinolin-3-yl)methanone
Catalog ID
STL551516
SMILES Cc1cc(C)c2c(c1)c(O)c(cn2)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 C27H33N3O2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O2/c1-16-10-17(2)24-21(11-16)26(31)22(14-28-24)27(32)30-9-5-6-18-12-19-13-20(25(18)30)15-29-8-4-3-7-23(19)29/h10-12,14,19-20,23,25H,3-9,13,15H2,1-2H3,(H,28,31)/t19-,20+,23+,25+/m0/s1InChIKey
NOHGVXJPGSHHTD-IWVMGURDSA-NSynonyms
((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)(4hydroxy68dimethylquinolin3yl)methanone
(6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(4hydroxy68dimethylquinolin3yl)methanone
Cc1cc(C)c2c(c1)c(O)c(cn2)C(=O)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31
InChI=1SC27H33N3O2c1161017(2)2421(1116)26(31)22(142824)27(32)309561812191320(25(18)30)1529843723(19)29h10121419202325H391315H212H3(H2831)t1920+23+25+m0s1
ZINC000888089186
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