Vitas-M small molecule compound

1-methyl-1H-benzimidazol-2-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside

Catalog ID
STL553744
SMILES CC(=O)OCC1OC(Sc2nc3c(n2C)cccc3)C(C(C1OC(=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 C22H27N3O8S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O8S/c1-11(26)23-18-20(32-14(4)29)19(31-13(3)28)17(10-30-12(2)27)33-21(18)34-22-24-15-8-6-7-9-16(15)25(22)5/h6-9,17-21H,10H2,1-5H3,(H,23,26)
InChIKey
WXJIHLODHFIABC-UHFFFAOYSA-N
Synonyms

(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((1methyl1Hbenzo(d)imidazol2yl)thio)tetrahydro2Hpyran34diyldiacetate
1methyl1Hbenzimidazol2yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2nc3c(n2C)cccc3)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
MFCD31750838
ZINC000503939753
ZINC000503939756

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Available files

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