Vitas-M small molecule compound
(3R,3aR)-3-hydroxy-5-methoxy-9,9-dimethyl-3,3a,8,9,10,11,11a,11b-octahydro[1]benzofuro[4,3,2-efg][2]benzazocin-9-ium
Catalog ID
STL552967
SMILES COc1ccc2c3c1O[C@@H]1C3C(C=C[C@H]1O)CC[N+](C2)(C)C
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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 C18H24NO3 MW 302.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24NO3/c1-19(2)9-8-11-4-6-13(20)17-15(11)16-12(10-19)5-7-14(21-3)18(16)22-17/h4-7,11,13,15,17,20H,8-10H2,1-3H3/q+1/t11?,13-,15?,17+/m1/s1InChIKey
AKJAUQPVWVZPQX-BFYODMLFSA-NSynonyms
(13~(R)14~(R))2methoxy77dimethyl17oxa7azoniatetracyclo(12210^(516)0^(1015))heptadeca135(16)11tetraen13ol
(3R3aR)3hydroxy5methoxy99dimethyl33a89101111a11boctahydro(1)benzofuro(432efg)(2)benzazocin9ium
(4aR5S8aR)5hydroxy3methoxy1111dimethyl569101112hexahydro4aHbenzo(23)benzofuro(43cd)azepin11iumiodide
135640864
COc1ccc2c3c1O(C@@H)1(C@)3(C=CC(C@@H)1O)CC(N+)(C2)(C)C(I)
InChI=1SC18H24NO3c119(2)98114613(20)1715(11)1612(1019)5714(213)18(16)2217h471113151720H810H213H3q+1t11?1315?17+m1s1
ZINC001772492938
ZINC001772492946
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