Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzyl-4-hydroxypiperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL530404
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)Cc1ccccc1)CC1[C@](C2)(C)CCCC1=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 C27H37NO3 MW 423.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO3/c1-19-7-6-10-26(2)17-24-21(15-23(19)26)22(25(29)31-24)18-28-13-11-27(30,12-14-28)16-20-8-4-3-5-9-20/h3-5,8-9,21-24,30H,1,6-7,10-18H2,2H3/t21-,22?,23?,24-,26-/m1/s1InChIKey
ARYDPXCLLLRKHT-XURSCOLFSA-NSynonyms
956813-53-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzyl4hydroxypiperidin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4benzyl4hydroxypiperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16403674
956813539
InChI=1SC27H37NO3c119761026(2)172421(1523(19)26)22(25(29)3124)1828131127(30121428)16208435920h3589212430H1671018H22H3t2122?23?2426m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)(O)Cc1ccccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004084361
ZINC000012881166
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