Vitas-M small molecule compound

(2R,3S,4R,5R,6R)-5-(acetylamino)-2-[(acetyloxy)methyl]-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-2H-pyran-3,4-diyl diacetate (non-preferred name)

Catalog ID
STL526825
SMILES CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=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 C26H39NO14 MW 589.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO14/c1-11(28)27-17-20(35-14(4)31)18(34-13(3)30)15(9-32-12(2)29)36-23(17)33-10-16-19-21(39-25(5,6)38-19)22-24(37-16)41-26(7,8)40-22/h15-24H,9-10H2,1-8H3,(H,27,28)/t15-,16-,17-,18-,19+,20-,21+,22-,23-,24-/m1/s1
InChIKey
ZHWYCFFIYYYDMI-KJZBTVIPSA-N
Synonyms
35437-38-8
((2~(R)3~(S)4~(R)5~(R)6~(R))5acetamido34diacetyloxy6(((1~(S)2~(R)6~(R)8~(R)9~(S))441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecan8yl)methoxy)oxan2yl)methylacetate
(2R3S4R5R6R)5(acetylamino)2((acetyloxy)methyl)6(((3aR5R5aS8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5yl)methoxy)tetrahydro2Hpyran34diyldiacetate(nonpreferredname)
(2R3S4R5R6R)5acetamido2(acetoxymethyl)6(((3aR5R5aS8aS8bR)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5yl)methoxy)tetrahydro2Hpyran34diyldiacetate
11103896
35437388
6O(2ACETYLAMINO3O4O6OTRIACETYL2DEOXYBETADGLUCOPYRANOSYL)1O2O3O4ODIISOPROPYLIDENEALPHADGALACTOPYRANOSE
CC(=O)OC(C@H)1O(C@@H)(OC(C@H)2O(C@@H)3OC(O(C@@H)3(C@@H)3(C@H)2OC(O3)(C)C)(C)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC26H39NO14c111(28)271720(3514(4)31)18(3413(3)30)15(93212(2)29)3623(17)3310161921(3925(56)3819)2224(3716)4126(78)4022h1524H910H218H3(H2728)t1516171819+2021+222324m1s1
MFCD03006094
ZINC000085893391
ZINC85893391

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Available files

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