Vitas-M small molecule compound
3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Catalog ID
STL525494
SMILES CC(=O)OC[C@H]1O[C@@H](SC2=C(O)C(=O)c3c(C2=O)cccc3)[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 C24H24O12S MW 536.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24O12S/c1-10(25)32-9-16-20(33-11(2)26)21(34-12(3)27)22(35-13(4)28)24(36-16)37-23-18(30)15-8-6-5-7-14(15)17(29)19(23)31/h5-8,16,20-22,24,31H,9H2,1-4H3/t16-,20-,21+,22-,24+/m1/s1InChIKey
NJJWZRQSHUHLLX-XVKUDFEISA-NSynonyms
(2R3R4S5R6S)2(acetoxymethyl)6((3hydroxy14dioxo14dihydronaphthalen2yl)thio)tetrahydro2Hpyran345triyltriacetate
3hydroxy14dioxo14dihydronaphthalen2yl2346tetraOacetyl1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(SC2=C(O)C(=O)c3c(C2=O)cccc3)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC24H24O12Sc110(25)3291620(3311(2)26)21(3412(3)27)22(3513(4)28)24(3616)372318(30)15865714(15)17(29)19(23)31h581620222431H9H214H3t162021+2224+m1s1
MFCD01083560
ZINC000070665633
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