Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-(((1-benzylpiperidin-4-yl)amino)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL534741
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCN(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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-18-7-6-10-20-15-23-24(25(30)27(18,20)2)22(26(31)32-23)16-28-21-11-13-29(14-12-21)17-19-8-4-3-5-9-19/h3-5,8-10,18,21-25,28,30H,6-7,11-17H2,1-2H3/t18-,22?,23+,24+,25-,27+/m0/s1InChIKey
NILKEYZRQOIGIQ-CQHCHNHHSA-NSynonyms
1212482-65-9(3S3aS4S4aR5S9aR)3(((1benzylpiperidin4yl)amino)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212482659
InChI=1SC27H38N2O3c118761020152324(25(30)27(1820)2)22(26(31)3223)162821111329(141221)17198435919h358101821252830H671117H212H3t1822?23+24+2527+m0s1
MFCD32649985
O=C1O(C@H)2(C@@H)(C1CNC1CCN(CC1)Cc1ccccc1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002102957
ZINC000008917849
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