Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((2-methylpiperidin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526378
SMILES CC1CCCCN1CC1C(=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 C21H33NO2 MW 331.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO2/c1-14-7-6-9-21(3)12-19-16(11-18(14)21)17(20(23)24-19)13-22-10-5-4-8-15(22)2/h15-19H,1,4-13H2,2-3H3/t15?,16-,17?,18?,19-,21-/m1/s1InChIKey
DLJKJOVMBJSDEP-SCQOROSMSA-NSynonyms
1212455-91-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((2methylpiperidin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((2methylpiperidin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
1212455918
16396924
CC1CCCCN1CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC21H33NO2c11476921(3)121916(1118(14)21)17(20(23)2419)13221054815(22)2h1519H1413H223H3t15?1617?18?1921m1s1
ZINC000004028397
ZINC000252693509
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