Vitas-M small molecule compound
ethyl 4-{[({[(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)acetyl]amino}benzoate (non-preferred name)
Catalog ID
STL526394
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CNC(=O)C1O[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 C23H30N2O9 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O9/c1-6-29-20(28)12-7-9-13(10-8-12)25-14(26)11-24-19(27)17-15-16(32-22(2,3)31-15)18-21(30-17)34-23(4,5)33-18/h7-10,15-18,21H,6,11H2,1-5H3,(H,24,27)(H,25,26)/t15-,16+,17?,18-,21-/m1/s1InChIKey
FXUYFTSKCDUEBN-HMCFULEZSA-NSynonyms
1029693-08-01029693080
16397256
CCOC(=O)c1ccc(cc1)NC(=O)CNC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
ethyl4((((((3aR5aR8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5yl)carbonyl)amino)acetyl)amino)benzoate(nonpreferredname)
ethyl4((2(((1~(S)2~(R)6~(R)9~(R))441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carbonyl)amino)acetyl)amino)benzoate
ethyl4(2((3aR5aR8aS8bR)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamido)acetamido)benzoate
InChI=1SC23H30N2O9c162920(28)127913(10812)2514(26)112419(27)171516(3222(23)3115)1821(3017)3423(45)3318h710151821H611H215H3(H2427)(H2526)t1516+17?1821m1s1
MFCD02925500
ZINC000002134430
ZINC000002134431
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.