Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL546233
SMILES CN([C@H]([C@H](c1ccccc1)O)C)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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 C25H35NO3 MW 397.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO3/c1-16-9-8-12-25(3)14-22-19(13-21(16)25)20(24(28)29-22)15-26(4)17(2)23(27)18-10-6-5-7-11-18/h5-7,10-11,13,16-17,19-20,22-23,27H,8-9,12,14-15H2,1-4H3/t16-,17-,19+,20?,22+,23+,25+/m0/s1InChIKey
JUVOJPIKDRDACF-GFCAIKOYSA-NSynonyms
956955-29-6(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((((1~(S)2~(S))1hydroxy1phenylpropan2yl)methylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((((1S2S)1hydroxy1phenylpropan2yl)(methyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400970
956955296
CN((C@H)((C@H)(c1ccccc1)O)C)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC25H35NO3c116981225(3)142219(1321(16)25)20(24(28)2922)1526(4)17(2)23(27)18106571118h5710111316171920222327H89121415H214H3t161719+20?22+23+25+m0s1
MFCD32650026
ZINC000004073805
ZINC000012866939
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