Vitas-M small molecule compound
4-[(E)-(6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2-methoxyphenyl beta-D-galactopyranoside
Catalog ID
STL566248
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C\2/Oc3c(C2=O)ccc(c3)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 C22H22O10 MW 446.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O10/c1-29-15-6-10(7-16-18(25)12-4-3-11(24)8-14(12)30-16)2-5-13(15)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/b16-7+/t17-,19+,20+,21-,22-/m1/s1InChIKey
JSHCIPDYXUVMEC-GXYRGBOOSA-NSynonyms
(2E)6hydroxy2((3methoxy4((2S3R4S5R6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)methylidene)1benzofuran3one
(E)6hydroxy2(3methoxy4(((2S3R4S5R6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)benzylidene)benzofuran3(2H)one
4((E)(6hydroxy3oxo1benzofuran2(3H)ylidene)methyl)2methoxyphenylbetaDgalactopyranoside
71755351
InChI=1SC22H22O10c12915610(71618(25)124311(24)814(12)3016)2513(15)312221(28)20(27)19(26)17(923)3222h281719242628H9H21H3b167+t1719+20+2122m1s1
MFCD32651868
OC(C@H)1O(C@@H)(Oc2ccc(cc2OC)C=C2Oc3c(C2=O)ccc(c3)O)(C@@H)((C@H)((C@H)1O)O)O
ZINC000085880038
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