Vitas-M small molecule compound
3-(beta-D-glucopyranosylthio)-1,4,6-trihydroxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl 1-thio-beta-D-glucopyranoside
Catalog ID
STL564523
SMILES OC[C@H]1O[C@@H](Sc2c(S[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)c(O)c3c(c2O)C(=O)C(=C(C3=O)C)O)[C@@H]([C@H]([C@@H]1O)O)O
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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 C23H28O15S2 MW 608.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O15S2/c1-4-9(26)7-8(13(30)10(4)27)15(32)21(40-23-19(36)17(34)12(29)6(3-25)38-23)20(14(7)31)39-22-18(35)16(33)11(28)5(2-24)37-22/h5-6,11-12,16-19,22-25,27-29,31-36H,2-3H2,1H3/t5-,6-,11-,12-,16+,17+,18-,19-,22+,23+/m1/s1InChIKey
KQCVEDPCEGXNSK-GOLAUHPKSA-NSynonyms
258trihydroxy3methyl67bis(((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)thio)naphthalene14dione
3(betaDglucopyranosylthio)146trihydroxy7methyl58dioxo58dihydronaphthalen2yl1thiobetaDglucopyranoside
MFCD32651494
OC(C@H)1O(C@@H)(Sc2c(S(C@@H)3O(C@H)(CO)(C@H)((C@@H)((C@H)3O)O)O)c(O)c3c(c2O)C(=O)C(=C(C3=O)C)O)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000070665598
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