Vitas-M small molecule compound

N-((2R,3R,4R,5S,6R)-2-((R)-2-((3aR,5R,6S,6aR)-2,2-dimethyl-6-propoxytetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyethoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide

Catalog ID
STL526898
SMILES CCCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C(CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O

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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 C20H35NO11 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H35NO11/c1-5-6-27-16-15(30-19-17(16)31-20(3,4)32-19)10(24)8-28-18-12(21-9(2)23)14(26)13(25)11(7-22)29-18/h10-19,22,24-26H,5-8H2,1-4H3,(H,21,23)/t10?,11-,12-,13-,14-,15-,16+,17-,18-,19-/m1/s1
InChIKey
JNMPSQHYACAHGC-ATOFUCCFSA-N
Synonyms
450365-78-3
~(N)((2~(R)3~(R)4~(R)5~(S)6~(R))2(2((3~(a)~(R)5~(R)6~(S)6~(a)~(R))22dimethyl6propoxy3~(a)566~(a)tetrahydrofuro(23d)(13)dioxol5yl)2hydroxyethoxy)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
16397492
450365783
CCCO(C@H)1(C@H)(O(C@H)2(C@@H)1OC(O2)(C)C)C(CO(C@@H)1O(C@H)(CO)(C@H)((C@@H)((C@H)1NC(=O)C)O)O)O
InChI=1SC20H35NO11c156271615(301917(16)3120(34)3219)10(24)8281812(219(2)23)14(26)13(25)11(722)2918h1019222426H58H214H3(H2123)t10?111213141516+171819m1s1
MFCD32649851
N((2R3R4R5S6R)2((R)2((3aR5R6S6aR)22dimethyl6propoxytetrahydrofuro(23d)(13)dioxol5yl)2hydroxyethoxy)45dihydroxy6(hydroxymethyl)tetrahydro2Hpyran3yl)acetamide
ZINC000070672060
ZINC000070672062

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.