Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-([1,4'-bipiperidin]-1'-ylmethyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL532837
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)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 C25H40N2O2 MW 400.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H40N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-13-8-19(9-14-26)27-11-4-3-5-12-27/h19-21,23H,3-17H2,1-2H3/t20-,21?,23-,25-/m1/s1InChIKey
TWRBLIVZRCVSOS-ZTHJLXDFSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4piperidin1ylpiperidin1yl)methyl)33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((14bipiperidin)1ylmethyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)oneoxalate
16404909
InChI=1SC25H40N2O2c118761025(2)162320(1522(18)25)21(24(28)2923)172613819(91426)27114351227h192123H317H212H3t2021?2325m1s1
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)N1CCCCC1)CC1=C(C)CCC(C@@)1(C2)C
ZINC000004086592
ZINC000012885494
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