Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((4-(4-nitrophenyl)piperazin-1-yl)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL527368
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])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 C25H33N3O4 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O4/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)32-23)16-26-10-12-27(13-11-26)18-5-7-19(8-6-18)28(30)31/h5-8,14,17,20-21,23H,3-4,9-13,15-16H2,1-2H3/t17-,20+,21?,23+,25+/m0/s1InChIKey
BZUHGFUCNPLPKX-HZZSDGONSA-NSynonyms
957030-03-4(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4(4nitrophenyl)piperazin1yl)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3((4(4nitrophenyl)piperazin1yl)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397875
957030034
InChI=1SC25H33N3O4c11743925(2)152320(1422(17)25)21(24(29)3223)1626101227(131126)185719(8618)28(30)31h581417202123H349131516H212H3t1720+21?23+25+m0s1
MFCD32649856
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000059410234
ZINC000061996961
Check stock
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