Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((4-(4-nitrophenyl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL527195
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])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 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/h5-8,20-23H,1,3-4,9-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey
YYNSVIHMXBJYSY-SSHIOZSPSA-N
Synonyms
956157-33-8
(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((4(4nitrophenyl)piperazin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((4(4nitrophenyl)piperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
16397916
956157338
InChI=1SC25H33N3O4c11743925(2)152320(1422(17)25)21(24(29)3223)1626101227(131126)185719(8618)28(30)31h582023H134916H22H3t2021?22?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))CC1(C@)(C2)(C)CCCC1=C
ZINC000059410282
ZINC000061996965

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Available files

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