Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((benzyl(2-hydroxyethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL528190
SMILES OCCN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccccc1
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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 C24H33NO3 MW 383.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO3/c1-17-7-6-10-24(2)14-22-19(13-21(17)24)20(23(27)28-22)16-25(11-12-26)15-18-8-4-3-5-9-18/h3-5,8-9,13,17,19-20,22,26H,6-7,10-12,14-16H2,1-2H3/t17-,19+,20?,22+,24+/m0/s1InChIKey
OZOHJRMQAJVXAU-NXYJKZDISA-NSynonyms
1212437-08-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((benzyl(2hydroxyethyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((benzyl(2hydroxyethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
1212437085
16398691
InChI=1SC24H33NO3c117761024(2)142219(1321(17)24)20(23(27)2822)1625(111226)15188435918h3589131719202226H6710121416H212H3t1719+20?22+24+m0s1
MFCD32649888
OCCN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)Cc1ccccc1
ZINC000004045492
ZINC000012661779
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