Vitas-M small molecule compound

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

Catalog ID
STL527538
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])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 C26H37N3O6 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3O6/c1-24-9-4-10-25(2,34-3)26(24,31)15-20-21(23(30)35-22(20)16-24)17-27-11-13-28(14-12-27)18-5-7-19(8-6-18)29(32)33/h5-8,20-22,31H,4,9-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1
InChIKey
AIXNJADSSZEICA-RCSNVNNZSA-N
Synonyms
956932-37-9
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))4~(a)hydroxy5methoxy58~(a)dimethyl3((4(4nitrophenyl)piperazin1yl)methyl)33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy5methoxy58adimethyl3((4(4nitrophenyl)piperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
16398098
956932379
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC26H37N3O6c124941025(2343)26(2431)152021(23(30)3522(20)1624)1727111328(141227)185719(8618)29(32)33h58202231H4917H213H3t2021?22242526?m1s1
ZINC000059410374
ZINC000061996988

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Available files

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