Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553449
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)C=C1[C@](C2)(C)CCC=C1C
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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 C25H31FN2O2 MW 410.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31FN2O2/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/h3-4,6-8,14,18-19,23H,5,9-13,15-16H2,1-2H3/t18-,19?,23-,25-/m1/s1InChIKey
DJDMTKVUPCOQPO-DBBLGDKESA-NSynonyms
956931-40-1(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(2fluorophenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(2fluorophenyl)piperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16397037
956931401
InChI=1SC25H31FN2O2c11765925(2)152318(1420(17)25)19(24(29)3023)1627101228(131127)22843721(22)26h346814181923H59131516H212H3t1819?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1F)C=C1(C@)(C2)(C)CCC=C1C
ZINC000061992836
ZINC000061992837
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