Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzyl-4-hydroxypiperidin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL531741
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)Cc1ccccc1)CC1=C(C)CCC[C@@]1(C2)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/h3-5,8-9,21-22,24,30H,6-7,10-18H2,1-2H3/t21-,22?,24-,26-/m1/s1InChIKey
ZUPBERLHBNGRIA-VSYJZPKMSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzyl4hydroxypiperidin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4benzyl4hydroxypiperidin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)oneoxalate
16403720
InChI=1SC27H37NO3c119761026(2)172421(1523(19)26)22(25(29)3124)1828131127(30121428)16208435920h358921222430H671018H212H3t2122?2426m1s1
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)(O)Cc1ccccc1)CC1=C(C)CCC(C@@)1(C2)C
ZINC000004084410
ZINC000012881342
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