Vitas-M small molecule compound
3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4-tri-O-acetyl-1-thio-beta-D-xylopyranoside
Catalog ID
STL537330
SMILES COC1=C(S[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2
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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 C22H22O10S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O10S/c1-10(23)30-15-9-29-22(20(32-12(3)25)18(15)31-11(2)24)33-21-17(27)14-8-6-5-7-13(14)16(26)19(21)28-4/h5-8,15,18,20,22H,9H2,1-4H3/t15-,18+,20-,22+/m1/s1InChIKey
JDCNBMWDXWHBMP-NITZCXFCSA-NSynonyms
956937-44-3((3~(R)4~(S)5~(R)6~(S))45diacetyloxy6(3methoxy14dioxonaphthalen2yl)sulfanyloxan3yl)acetate
(2S3R4S5R)2((3methoxy14dioxo14dihydronaphthalen2yl)thio)tetrahydro2Hpyran345triyltriacetate
16406144
3methoxy14dioxo14dihydronaphthalen2yl234triOacetyl1thiobetaDxylopyranoside
956937443
COC1=C(S(C@@H)2OC(C@H)((C@@H)((C@H)2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2
InChI=1SC22H22O10Sc110(23)301592922(20(3212(3)25)18(15)3111(2)24)332117(27)14865713(14)16(26)19(21)284h5815182022H9H214H3t1518+2022+m1s1
MFCD07637470
ZINC000012889127
ZINC12889127
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