Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((R)-2-(hydroxymethyl)piperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528055
SMILES OCC1CCCCN1CC1C(=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 C21H33NO3 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3/c1-14-6-5-8-21(2)11-19-16(10-18(14)21)17(20(24)25-19)12-22-9-4-3-7-15(22)13-23/h15-19,23H,1,3-13H2,2H3/t15?,16-,17?,18?,19-,21-/m1/s1InChIKey
WNVZVCLBASTOLF-SCQOROSMSA-NSynonyms
1212432-79-5(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(hydroxymethyl)piperidin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((R)2(hydroxymethyl)piperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212432795
16399154
InChI=1SC21H33NO3c11465821(2)111916(1018(14)21)17(20(24)2519)1222943715(22)1323h151923H1313H22H3t15?1617?18?1921m1s1
OCC1CCCCN1CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
ZINC000004046979
ZINC000252695222
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