Vitas-M small molecule compound
(R)-2-phenyl-3-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)propanenitrile
Catalog ID
STL564632
SMILES OCC1O[C@@H](OCC2O[C@@H](C[C@H](c3ccccc3)C#N)C(C([C@H]2O)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 C21H29NO10 MW 455.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO10/c22-7-11(10-4-2-1-3-5-10)6-12-15(24)18(27)17(26)14(31-12)9-30-21-20(29)19(28)16(25)13(8-23)32-21/h1-5,11-21,23-29H,6,8-9H2/t11-,12-,13?,14?,15?,16+,17+,18?,19?,20?,21+/m0/s1InChIKey
GKCXGCQQCXLEAU-QLRKOCJDSA-NSynonyms
(2R)2phenyl3((2S5S)345trihydroxy6(((2R5S)345trihydroxy6(hydroxymethyl)oxan2yl)oxymethyl)oxan2yl)propanenitrile
145705525
2phenyl3((2S3R4R5S6R)345trihydroxy6((((2R3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)methyl)tetrahydro2Hpyran2yl)propanenitrile
InChI=1SC21H29NO10c22711(104213510)61215(24)18(27)17(26)14(3112)9302120(29)19(28)16(25)13(823)3221h1511212329H689H2t111213?14?15?16+17+18?19?20?21+m0s1
MFCD32651521
OCC1O(C@@H)(OCC2O(C@@H)(CC(c3ccccc3)C#N)C(C((C@@H)2O)O)O)C(C((C@@H)1O)O)O
ZINC000253388482
ZINC000253388485
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