Vitas-M small molecule compound

(1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-14,16-dimethoxy-3,4-epoxyaconitane-1,8-diol

Catalog ID
STK048562
SMILES CO[C@H]1C[C@@]2(O)C3[C@H]([C@@H]1CC3[C@@]13C4[C@H]2CC1[C@@]1(CN4CC)OC1C[C@@H]3O)OC

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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 C22H33NO5 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO5/c1-4-23-9-21-14-6-12-19(23)22(14,15(24)7-16(21)28-21)11-5-10-13(26-2)8-20(12,25)17(11)18(10)27-3/h10-19,24-25H,4-9H2,1-3H3/t10-,11?,12+,13+,14?,15+,16?,17?,18+,19?,20+,21-,22-/m1/s1
InChIKey
BSBCHFAQVMPCHU-FUHQELQESA-N
Synonyms

(1alpha5xi9xi10xi14alpha)20ethyl1416dimethoxy34epoxyaconitane18diol
CO(C@H)1C(C@@)2(O)C3(C@H)((C@@H)1CC3(C@@)13C4(C@H)2CC1(C@@)1(CN4CC)OC1C(C@@H)3O)OC
MFCD01544742
STK048562
ZINC000107336548
ZINC000239025498

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.