Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-benzylpiperidin-1-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562686
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)[C@H](O)[C@]1(C(=CCC[C@H]1C)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 C27H37NO3 MW 423.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO3/c1-18-7-6-10-21-16-23-24(25(29)27(18,21)2)22(26(30)31-23)17-28-13-11-20(12-14-28)15-19-8-4-3-5-9-19/h3-5,8-10,18,20,22-25,29H,6-7,11-17H2,1-2H3/t18-,22?,23+,24+,25-,27+/m0/s1InChIKey
LFQOBUGWTJTTGE-CQHCHNHHSA-NSynonyms
1212468-06-8(3aS4S4aR5S9aR)3((4benzylpiperidin1yl)methyl)4hydroxy4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)3((4benzylpiperidin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212468068
131664715
InChI=1SC27H37NO3c118761021162324(25(29)27(1821)2)22(26(30)3123)1728131120(121428)15198435919h358101820222529H671117H212H3t1822?23+24+2527+m0s1
MFCD32651336
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)Cc1ccccc1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002137247
ZINC000004041179
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