Vitas-M small molecule compound
(1R,5R)-8-{2-[(1S,5S)-3-{[(3,4-dimethoxyphenyl)carbonyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate
Catalog ID
STL564711
SMILES COc1cc(ccc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2CCN1[C@@H]2CC[C@H]1CC(C2)OC(=O)c1ccc(c(c1)OC)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 C34H44N2O8 MW 608.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3/t23-,24+,25-,26+,27?,28?InChIKey
KOCZJZLYLZKBJT-PUQBPLPQSA-NSynonyms
((1S5R)8(2((1S5R)3(34dimethoxybenzoyl)oxy8azabicyclo(321)octan8yl)ethyl)8azabicyclo(321)octan3yl)34dimethoxybenzoate
(1R1R3R3R5S5S)88(ethane12diyl)bis(8azabicyclo(321)octane83diyl)bis(34dimethoxybenzoate)
(1R5R)8(2((1S5S)3(((34dimethoxyphenyl)carbonyl)oxy)8azabicyclo(321)oct8yl)ethyl)8azabicyclo(321)oct3yl34dimethoxybenzoate
12303890
COc1cc(ccc1OC)C(=O)O(C@@H)1C(C@@H)2CC(C@H)(C1)N2CCN1(C@@H)2CC(C@H)1C(C@H)(C2)OC(=O)c1ccc(c(c1)OC)OC
InChI=1SC34H44N2O8c1392911521(1531(29)413)33(37)432717237824(1827)35(23)1314362591026(36)2028(1925)4434(38)2261230(402)32(1622)424h56111215162328H71013141720H214H3t2324+2526+27?28?
MFCD32651546
ZINC000253487448
ZINC000253487449
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.