Vitas-M small molecule compound

5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Catalog ID
STL564355
SMILES COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)OC(=O)C)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC

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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 C31H36O16 MW 664.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36O16/c1-12-28(44-13(2)32)25(37)27(39)30(43-12)42-11-20-22(34)24(36)26(38)31(47-20)46-19-10-18-21(23(35)29(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22,24-28,30-31,34-39H,11H2,1-4H3/t12-,20+,22+,24-,25-,26+,27+,28-,30+,31+/m0
InChIKey
PXJGTASAGKWQQJ-NUBBFWLOSA-N
Synonyms
53755-56-9
((2S3R4S5R6R)45dihydroxy2methyl6(((2R3S4S5R6S)345trihydroxy6(5hydroxy6methoxy2(4methoxyphenyl)4oxochromen7yl)oxyoxan2yl)methoxy)oxan3yl)acetate
(2S3R4S5R6R)45dihydroxy2methyl6(((2R3S4S5R6S)345trihydroxy6((5hydroxy6methoxy2(4methoxyphenyl)4oxo4Hchromen7yl)oxy)tetrahydro2Hpyran2yl)methoxy)tetrahydro2Hpyran3ylacetate
53755569
5hydroxy6methoxy2(4methoxyphenyl)4oxo4Hchromen7yl6O(4Oacetyl6deoxyalphaLmannopyranosyl)betaDglucopyranoside
7(6O(4OACETYLALPHALRHAMNOPYRANOSYL)BETADGLUCOPYRANOSYLOXY)5HYDROXY46DIMETHOXYFLAVONE
9986888
COc1c(O(C@@H)2O(C@H)(CO(C@@H)3O(C@@H)(C)(C@@H)((C@H)((C@H)3O)O)OC(=O)C)(C@H)((C@@H)((C@H)2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC
InChI=1SC31H36O16c11228(4413(2)32)25(37)27(39)30(4312)42112022(34)24(36)26(38)31(4720)4619101821(23(35)29(19)414)16(33)917(4518)145715(403)8614h510122022242830313439H11H214H3t1220+22+242526+27+2830+31+m0s1
MFCD32651444
ZINC000085866805

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Available files

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