Vitas-M small molecule compound
1-(2,4-dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one dihydrate
Catalog ID
STL565075
SMILES OCC1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)C(C([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 C21H24O10 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16?,18-,19?,20?,21-/m1/s1InChIKey
IOUVKUPGCMBWBT-IZUIXIRESA-NSynonyms
1(24dihydroxy6(((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)phenyl)3(4hydroxyphenyl)propan1onedihydrate
1(24dihydroxy6((2S5S)345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)3(4hydroxyphenyl)propan1one
44655905
InChI=1SC21H24O10c2291618(27)19(28)20(29)21(3116)3015812(24)714(26)17(15)13(25)63101411(23)5210h1245781618242629H369H2t16?1819?20?21m1s1
OC(C@H)1O(C@@H)(Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)(C@@H)((C@H)((C@@H)1O)O)OOO
ZINC000003875408
ZINC000013521023
Check stock
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Check stock on Vitas-MAvailable files
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