Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(2,5-dimethylphenyl)piperazin-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
STL547455
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(C)ccc1C)[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/c1-17-8-9-18(2)22(14-17)29-12-10-28(11-13-29)16-21-24-23(32-26(21)31)15-20-7-5-6-19(3)27(20,4)25(24)30/h7-9,14,19,21,23-25,30H,5-6,10-13,15-16H2,1-4H3/t19-,21?,23+,24+,25-,27+/m0/s1InChIKey
LSGWJALQGUMIRM-OMMIQMRZSA-NSynonyms
1212487-74-5(3S3aS4S4aR5S9aR)3((4(25dimethylphenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212487745
InChI=1SC27H38N2O3c1178918(2)22(1417)29121028(111329)16212423(3226(21)31)152075619(3)27(204)25(24)30h79141921232530H5610131516H214H3t1921?23+24+2527+m0s1
MFCD32650042
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cc(C)ccc1C)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000049662094
ZINC000070686740
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