Vitas-M small molecule compound
2-(methoxycarbonyl)phenyl (3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate (non-preferred name)
Catalog ID
STL553616
SMILES COC(=O)c1ccccc1OC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)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 C20H24O9 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24O9/c1-19(2)26-12-13(27-19)15-18(29-20(3,4)28-15)25-14(12)17(22)24-11-9-7-6-8-10(11)16(21)23-5/h6-9,12-15,18H,1-5H3/t12-,13+,14+,15-,18-/m1/s1InChIKey
AFMUCRKXGOPAKJ-SUKQMUEJSA-NSynonyms
474645-73-3(2methoxycarbonylphenyl)(1~(S)2~(R)6~(R)8~(S)9~(R))441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxylate
(3aR5S5aR8aS8bR)2(methoxycarbonyl)phenyl2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxylate
11863737
2(methoxycarbonyl)phenyl(3aR5S5aR8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxylate(nonpreferredname)
474645733
COC(=O)c1ccccc1OC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC20H24O9c119(2)261213(2719)1518(2920(34)2815)2514(12)17(22)2411976810(11)16(21)235h69121518H15H3t1213+14+1518m1s1
MFCD02058388
ZINC000002665376
ZINC2665376
Check stock
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Check stock on Vitas-MAvailable files
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