Vitas-M small molecule compound
2-(piperidin-1-yl)ethyl 4-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]benzoate
Catalog ID
STK075383
SMILES CC(=O)OC[C@H]1OC(Oc2ccc(cc2)C(=O)OCCN2CCCCC2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=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 C28H37NO12 MW 579.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO12/c1-17(30)36-16-23-24(37-18(2)31)25(38-19(3)32)26(39-20(4)33)28(41-23)40-22-10-8-21(9-11-22)27(34)35-15-14-29-12-6-5-7-13-29/h8-11,23-26,28H,5-7,12-16H2,1-4H3/t23-,24-,25+,26-,28?/m1/s1InChIKey
BDUNELQYTLRTRJ-VBGSWAKPSA-NSynonyms
(2R3R4S5R)2(acetoxymethyl)6(4((2(piperidin1yl)ethoxy)carbonyl)phenoxy)tetrahydro2Hpyran345triyltriacetate
2(piperidin1yl)ethyl4((2346tetraOacetylDglucopyranosyl)oxy)benzoate
2piperidin1ylethyl4((3R4S5R6R)345triacetyloxy6(acetyloxymethyl)oxan2yl)oxybenzoate
CC(=O)OC(C@H)1OC(Oc2ccc(cc2)C(=O)OCCN2CCCCC2)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)OCCN3CCCCC3)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC28H37NO12c117(30)36162324(3718(2)31)25(3819(3)32)26(3920(4)33)28(4123)402210821(91122)27(34)35151429126571329h811232628H571216H214H3t232425+2628?m1s1
MFCD01546448
STK075383
ZINC000070665544
ZINC000070665546
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.