Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((S)-2-ethylpiperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526497
SMILES CCC1CCCCN1CC1C(=O)O[C@H]2[C@@H]1CC1C(=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 C22H35NO2 MW 345.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35NO2/c1-4-16-9-5-6-11-23(16)14-18-17-12-19-15(2)8-7-10-22(19,3)13-20(17)25-21(18)24/h16-20H,2,4-14H2,1,3H3/t16?,17-,18?,19?,20-,22-/m1/s1InChIKey
BYMRGAVEJANVRN-CIVSPUEPSA-NSynonyms
1212477-34-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2ethylpiperidin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((S)2ethylpiperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212477343
16397031
CCC1CCCCN1CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC22H35NO2c14169561123(16)141817121915(2)871022(193)1320(17)2521(18)24h1620H2414H213H3t16?1718?19?2022m1s1
ZINC000004028570
ZINC000252693312
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