Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-4a-hydroxy-3-((4-(hydroxydiphenylmethyl)piperazin-1-yl)methyl)-5-methoxy-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527613
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)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 C33H44N2O5 MW 548.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O5/c1-30-15-10-16-31(2,39-3)32(30,37)21-26-27(29(36)40-28(26)22-30)23-34-17-19-35(20-18-34)33(38,24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,26-28,37-38H,10,15-23H2,1-3H3/t26-,27?,28-,30-,31-,32?/m1/s1InChIKey
OJGQVUNCDWSLLG-IZQOOWEDSA-NSynonyms
956973-56-1(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))4~(a)hydroxy3((4(hydroxy(diphenyl)methyl)piperazin1yl)methyl)5methoxy58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy3((4(hydroxydiphenylmethyl)piperazin1yl)methyl)5methoxy58adimethyldecahydronaphtho(23b)furan2(3H)one
16398113
956973561
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)C
InChI=1SC33H44N2O5c13015101631(2393)32(3037)212627(29(36)4028(26)2230)2334171935(201834)33(3824116471224)25138591425h49111426283738H101523H213H3t2627?28303132?m1s1
ZINC000070673216
ZINC000070673225
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.