Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548705
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)c1ccc(cc1)Cl)CC1=C(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 C26H34ClNO3 MW 444.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34ClNO3/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)31-23)16-28-12-10-26(30,11-13-28)18-5-7-19(27)8-6-18/h5-8,20-21,23,30H,3-4,9-16H2,1-2H3/t20-,21?,23-,25-/m1/s1InChIKey
SLTOBOOESMQMPQ-ZTHJLXDFSA-NSynonyms
956990-79-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(4chlorophenyl)4hydroxypiperidin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(4chlorophenyl)4hydroxypiperidin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16400723
956990797
InChI=1SC26H34ClNO3c11743925(2)152320(1422(17)25)21(24(29)3123)1628121026(30111328)185719(27)8618h5820212330H34916H212H3t2021?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)(O)c1ccc(cc1)Cl)CC1=C(C)CCC(C@@)1(C2)C
ZINC000012865885
ZINC000012865889
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