Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527860
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)CC1[C@](C2)(C)CCCC1=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 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/h3-4,7-8,18-20,23H,1,5-6,9-16H2,2H3/t18-,19?,20?,23-,25-/m1/s1InChIKey
FZFNSVTYWBAPRB-UKKDBOLMSA-NSynonyms
956932-56-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(2fluorophenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(2fluorophenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16398289
956932562
InChI=1SC25H33FN2O2c11765925(2)152318(1420(17)25)19(24(29)3023)1627101228(131127)22843721(22)26h3478182023H156916H22H3t1819?20?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1F)CC1(C@)(C2)(C)CCCC1=C
ZINC000061997010
ZINC000061997013
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