Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((1-benzylpiperidin-4-yl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL533865
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCN(CC1)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 C27H38N2O2 MW 422.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O2/c1-19-7-6-12-27(2)16-25-22(15-24(19)27)23(26(30)31-25)17-28-21-10-13-29(14-11-21)18-20-8-4-3-5-9-20/h3-5,8-9,21-25,28H,1,6-7,10-18H2,2H3/t22-,23?,24?,25-,27-/m1/s1InChIKey
GDJDLJZOZZIHSK-XIQCYBDRSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((1benzylpiperidin4yl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((1benzylpiperidin4yl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)oneoxalate
16404645
InChI=1SC27H38N2O2c119761227(2)162522(1524(19)27)23(26(30)3125)172821101329(141121)18208435920h3589212528H1671018H22H3t2223?24?2527m1s1
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CNC1CCN(CC1)Cc1ccccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004085580
ZINC000012884614
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