Vitas-M small molecule compound
(3aR,5aR,8aS,8bR)-N-{1-[(2-hydroxyphenyl)amino]-1-oxopropan-2-yl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL526359
SMILES O=C(C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C)Nc1ccccc1O
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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 C21H28N2O8 MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O8/c1-10(17(25)23-11-8-6-7-9-12(11)24)22-18(26)15-13-14(29-20(2,3)28-13)16-19(27-15)31-21(4,5)30-16/h6-10,13-16,19,24H,1-5H3,(H,22,26)(H,23,25)/t10?,13-,14+,15?,16-,19-/m1/s1InChIKey
LPLHLJDAFSPKOR-CBRAUMCESA-NSynonyms
1173915-02-0(1~(S)2~(R)6~(R)9~(R))~(N)(1(2hydroxyanilino)1oxopropan2yl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)N(1((2hydroxyphenyl)amino)1oxopropan2yl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5aR8aS8bR)N(1((2hydroxyphenyl)amino)1oxopropan2yl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
1173915020
16397201
InChI=1SC21H28N2O8c110(17(25)2311867912(11)24)2218(26)151314(2920(23)2813)1619(2715)3121(45)3016h61013161924H15H3(H2226)(H2325)t10?1314+15?1619m1s1
MFCD02925182
O=C(C(NC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C)C)Nc1ccccc1O
ZINC000002133891
ZINC000012660139
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.