Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526474
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C25H33FN2O2 MW 412.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,7-8,14,17-19,23H,5-6,9-13,15-16H2,1-2H3/t17-,18+,19?,23+,25+/m0/s1InChIKey
VNTROCQKDUQNCB-IUMGPSSASA-NSynonyms
956825-92-6(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(2fluorophenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(2fluorophenyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397076
956825926
InChI=1SC25H33FN2O2c11765925(2)152318(1420(17)25)19(24(29)3023)1627101228(131127)22843721(22)26h347814171923H569131516H212H3t1718+19?23+25+m0s1
MFCD32649836
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1F)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000061992857
ZINC000061992858
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