Vitas-M small molecule compound
carbonylbis[(1R,5S)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate)
Catalog ID
STL565423
SMILES COc1cc(ccc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)N1[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 C33H40N2O9 MW 608.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25?,26?InChIKey
JAXWQXGHHUWAKY-ICFBRBJFSA-NSynonyms
85412-77-7((1R5S)8((1S5R)3(34dimethoxybenzoyl)oxy8azabicyclo(321)octane8carbonyl)8azabicyclo(321)octan3yl)34dimethoxybenzoate
(1R1R3S3S5S5S)88carbonylbis(8azabicyclo(321)octane83diyl)bis(34dimethoxybenzoate)
15385407
85412777
carbonylbis((1R5S)8azabicyclo(321)octane83diyl)bis(34dimethoxybenzoate)
COc1cc(ccc1OC)C(=O)O(C@@H)1C(C@H)2CC(C@@H)(C1)N2C(=O)N1(C@@H)2CC(C@H)1C(C@@H)(C2)OC(=O)c1ccc(c(c1)OC)OC
InChI=1SC33H40N2O9c1392711519(1329(27)413)31(36)432515217822(1625)34(21)33(38)352391024(35)1826(1723)4432(37)2061228(402)30(1420)424h5611142126H7101518H214H3t2122+2324+25?26?
MFCD01881024
ZINC000100763136
ZINC000253487350
Check stock
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Check stock on Vitas-MAvailable files
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