Vitas-M small molecule compound
(6S,10S,11R,11aS,12aR,13R,E)-methyl 9-ethylidene-13-hydroxy-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-11-carboxylate
Catalog ID
STL564922
SMILES COC(=O)C12[C@H]3C[C@]4([C@H]2O)C([C@H]2N3C/C(=C/C)/[C@@H]1C2)Nc1c4cccc1
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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 C21H24N2O3 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17?,18+,20+,21?/m0/s1InChIKey
RLUORQGMBKDXPO-GHBMVFGLSA-NSynonyms
(5aS6S10R11R11aS12aRE)methyl9ethylidene13hydroxy5a689101111a12octahydro5H6101112adimethanoindolo(32b)quinolizine11carboxylatehydrochloride
(5aS6S10S11aS12aR13SE)methyl9ethylidene13hydroxy5a689101111a12octahydro5H6101112adimethanoindolo(32b)quinolizine11carboxylate
139292052
COC(=O)C12(C@@H)3C(C@)4((C@@H)2O)(C@@H)((C@H)2N3CC(=CC)(C@@H)1C2)Nc1c4cccc1
COC(=O)C12(C@@H)3C(C@)4(C2O)(C@@H)((C@H)2N3CC(=CC)(C@H)1C2)Nc1c4cccc1Cl
InChI=1SC21H24N2O3c1311102315813(11)21(19(25)262)16(23)920(18(21)24)12645714(12)2217(15)20h371315182224H810H212H3b113t13151617?18+20+21?m0s1
methyl(1R10S12S13E16S18R)13ethylidene18hydroxy815diazahexacyclo(14210190270101501217)nonadeca246triene17carboxylate
MFCD32651606
QUEBRACHIDINE
ZINC000108234910
ZINC001848443800
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.