Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL563109
SMILES CN(CC(c1ccc(cc1)O)O)CC1C(=O)O[C@H]2[C@@H]1CC1=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 C24H33NO4 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO4/c1-15-5-4-10-24(2)12-22-18(11-20(15)24)19(23(28)29-22)13-25(3)14-21(27)16-6-8-17(26)9-7-16/h6-9,18-19,21-22,26-27H,4-5,10-14H2,1-3H3/t18-,19?,21?,22-,24-/m1/s1InChIKey
DNZIKYSLYLRNLJ-RUTQKLCOSA-NSynonyms
957043-53-7(3aR8aR9aR)3(((2hydroxy2(4hydroxyphenyl)ethyl)methylamino)methyl)58adimethyl33a467899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2hydroxy2(4hydroxyphenyl)ethyl)(methyl)amino)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16400135
957043537
CN(CC(c1ccc(cc1)O)O)CC1C(=O)O(C@H)2(C@@H)1CC1=C(C)CCC(C@@)1(C2)C
InChI=1SC24H33NO4c115541024(2)122218(1120(15)24)19(23(28)2922)1325(3)1421(27)166817(26)9716h69181921222627H451014H213H3t1819?21?2224m1s1
ZINC000004073149
ZINC000105373609
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