VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

1,4,6-trihydroxy-7-methyl-5,8-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-5,8-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside

Catalog ID
STL525687
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2c(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)c(O)c3c(c2O)C(=O)C(=C(C3=O)C)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C39H44O23S2 MW 944.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44O23S2/c1-12-25(48)23-24(27(50)26(12)49)29(52)37(64-39-35(60-20(9)47)33(58-18(7)45)31(56-16(5)43)22(62-39)11-54-14(3)41)36(28(23)51)63-38-34(59-19(8)46)32(57-17(6)44)30(55-15(4)42)21(61-38)10-53-13(2)40/h21-22,30-35,38-39,49,51-52H,10-11H2,1
InChIKey
JLHCHOYLFCCPEF-BBGDYYCPSA-N
Synonyms

((2R3R4S5R6S)345tris(acetyloxy)6((147trihydroxy6methyl58dioxo3(((2S3R4S5R6R)345tris(acetyloxy)6((acetyloxy)methyl)oxan2yl)sulfanyl)58dihydronaphthalen2yl)sulfanyl)oxan2yl)methylacetate
146trihydroxy7methyl58dioxo3((2346tetraOacetylbetaDglucopyranosyl)thio)58dihydronaphthalen2yl2346tetraOacetyl1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2c(S(C@@H)3O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)3OC(=O)C)OC(=O)C)OC(=O)C)c(O)c3c(c2O)C(=O)C(=C(C3=O)C)O)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC39H44O23S2c11225(48)2324(27(50)26(12)49)29(52)37(643935(6020(9)47)33(5818(7)45)31(5616(5)43)22(6239)115414(3)41)36(28(23)51)633834(5919(8)46)32(5717(6)44)30(5515(4)42)21(6138)105313(2)40h212230353839495152H1011H219H3t2122303132+33+343538+39+
MFCD01083848
ZINC000217368266

Check stock

See real-time availability and sample size for STL525687 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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

Download SDF Download MOL 3D structure Download SDS