Vitas-M small molecule compound
6-tert-butyl-5,8-dihydroxy-1,4-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Catalog ID
STL565434
SMILES CC(=O)OC[C@H]1O[C@@H](SC2=C(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(C2=O)c(O)c(cc3O)C(C)(C)C)[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 C42H50O22S2 MW 970.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H50O22S2/c1-15(43)55-13-25-32(57-17(3)45)34(59-19(5)47)36(61-21(7)49)40(63-25)65-38-30(53)27-24(51)12-23(42(9,10)11)29(52)28(27)31(54)39(38)66-41-37(62-22(8)50)35(60-20(6)48)33(58-18(4)46)26(64-41)14-56-16(2)44/h12,25-26,32-37,40-41,51-52H,13-InChIKey
PWMWFOWSRFRPQK-WBUMXBAOSA-NSynonyms
((2R3R4S5R6S)345tris(acetyloxy)6((7tertbutyl58dihydroxy14dioxo3(((2S3R4S5R6R)345tris(acetyloxy)6((acetyloxy)methyl)oxan2yl)sulfanyl)14dihydronaphthalen2yl)sulfanyl)oxan2yl)methylacetate
6tertbutyl58dihydroxy14dioxo3((2346tetraOacetylbetaDglucopyranosyl)thio)14dihydronaphthalen2yl2346tetraOacetyl1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(SC2=C(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(C2=O)c(O)c(cc3O)C(C)(C)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
MFCD32651671
ZINC000217359629
Check stock
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Check stock on Vitas-MAvailable files
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