Vitas-M small molecule compound
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Catalog ID
STL564687
SMILES O[C@H]1C(CO[C@@H]2OC[C@@H](C(C2O)O)O)O[C@@](C(C1O)O)(O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)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 C26H28O16 MW 596.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28O16/c27-11-2-1-9(3-12(11)28)16-6-14(30)19-13(29)4-10(5-17(19)40-16)41-26(37)24(36)22(34)21(33)18(42-26)8-39-25-23(35)20(32)15(31)7-38-25/h1-6,15,18,20-25,27-29,31-37H,7-8H2/t15-,18?,20?,21+,22?,23?,24?,25-,26-/m0/s1InChIKey
WQVCDQYJDQXJLY-SDMLJJSBSA-NSynonyms
2(34dihydroxyphenyl)5hydroxy7((2R5S)2345tetrahydroxy6(((2S5S)345trihydroxyoxan2yl)oxymethyl)oxan2yl)oxychromen4one
44661065
InChI=1SC26H28O16c2711219(312(11)28)16614(30)1913(29)410(517(19)4016)4126(37)24(36)22(34)21(33)18(4226)8392523(35)20(32)15(31)73825h161518202527293137H78H2t1518?20?21+22?23?24?2526m0s1
MFCD32651538
ZINC000253488077
ZINC000253488080
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