Vitas-M small molecule compound
(3aR,5S,5aR,8aS,8bR)-N-{3-[(2-methoxyphenyl)amino]-3-oxopropyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL546179
SMILES COc1ccccc1NC(=O)CCNC(=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 C22H30N2O8 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O8/c1-21(2)29-15-16(30-21)18-20(32-22(3,4)31-18)28-17(15)19(26)23-11-10-14(25)24-12-8-6-7-9-13(12)27-5/h6-9,15-18,20H,10-11H2,1-5H3,(H,23,26)(H,24,25)/t15-,16+,17+,18-,20-/m1/s1InChIKey
HLPHYGWNSYKHTM-ZMIKWESLSA-NSynonyms
956611-94-2(1~(S)2~(R)6~(R)8~(S)9~(R))~(N)(3(2methoxyanilino)3oxopropyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5S5aR8aS8bR)N(3((2methoxyphenyl)amino)3oxopropyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(3((2methoxyphenyl)amino)3oxopropyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
2129841
956611942
COc1ccccc1NC(=O)CCNC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC22H30N2O8c121(2)291516(3021)1820(3222(34)3118)2817(15)19(26)23111014(25)2412867913(12)275h69151820H1011H215H3(H2326)(H2425)t1516+17+1820m1s1
MFCD03660506
ZINC000002667102
ZINC2667102
Check stock
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Check stock on Vitas-MAvailable files
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