Vitas-M small molecule compound
1,4,6-trihydroxy-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
STL565447
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(=CC3=O)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=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 C38H42O23S2 MW 930.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42O23S2/c1-12(39)52-10-22-29(54-14(3)41)31(56-16(5)43)33(58-18(7)45)37(60-22)62-35-27(50)24-20(47)9-21(48)26(49)25(24)28(51)36(35)63-38-34(59-19(8)46)32(57-17(6)44)30(55-15(4)42)23(61-38)11-53-13(2)40/h9,22-23,29-34,37-38,48,50-51H,10-11H2,1-InChIKey
XKNCBPZKTNZZGL-IHFHJWCSSA-NSynonyms
((2R3R4S5R6S)345tris(acetyloxy)6((146trihydroxy58dioxo3(((2S3R4S5R6R)345tris(acetyloxy)6((acetyloxy)methyl)oxan2yl)sulfanyl)58dihydronaphthalen2yl)sulfanyl)oxan2yl)methylacetate
146trihydroxy58dioxo3((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(=CC3=O)O)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
MFCD32651677
ZINC000217359454
Check stock
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Check stock on Vitas-MAvailable files
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