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Vitas-M small molecule compound

{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile

Catalog ID
STL564520
SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)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 C20H27NO11 MW 457.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey
XUCIJNAGGSZNQT-SWRVSKMJSA-N
Synonyms
51371-34-7
((6O(betaDglucopyranosyl)betaDglucopyranosyl)oxy)(phenyl)acetonitrile
((6OBETADGLUCOPYRANOSYLBETADGLUCOPYRANOSYL)OXY)(PHENYL)ACETONITRILE
(R)2phenyl2(((2R3R4S5S6R)345trihydroxy6((((2R3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)methyl)tetrahydro2Hpyran2yl)oxy)acetonitrile
(R)ALPHA((6OBETADGLUCOPYRANOSYLBETADGLUCOPYRANOSYL)OXY)BENZENEACETONITRILE
2PHENYL2(((2R3R4S5S6R)345TRIHYDROXY6((((2R3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN2YL)OXY)METHYL)TETRAHYDRO2HPYRAN2YL)OXY)ACETONITRILE
2PHENYL2((2R3R4S5S6R)345TRIHYDROXY6(((2R3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXYMETHYL)OXAN2YL)OXYACETONITRILE
2PHENYL2((2R3R4S5S6R)345TRIHYDROXY6(((2R3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN2YLOXY)METHYL)TETRAHYDRO2HPYRAN2YLOXY)ACETONITRILE
2PHENYL2((2R3R4S5S6R)345TRIHYDROXY6(((2R3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDROPYRAN2YL)OXYMETHYL)TETRAHYDROPYRAN2YL)OXYACETONITRILE
34751
51371347
ALPHACYANOBENZYL6OBETADGLUCOPYRANOSYLBETADGLUCOPYRANOSIDE
AMYGDALOSIDE
BENZENEACETONITRILEALPHA((6OBETADGLUCOPYRANOSYLBETADGLUCOPYRANOSYL)OXY)(R)
BENZENEACETONITRILEALPHA((6OBETADGLUCOPYRANSOYLBETADGLUCOPYRANOSYL)OXY)(RS)
D()AMYGDALINHYDRATE
DAMYGDALINHYDRATE
DMANDELONITRILE6OBETADGLUCOSIDOBETADGLUCOSIDE
DMANDELONITRILEBETAGENTIOBIOSIDE
InChI=1SC20H27NO11c21610(9421359)302018(28)16(26)14(24)12(3220)8291917(27)15(25)13(23)11(722)3119h1510202228H78H2t10?1112131415+16+17181920m1s1
ISOAMYGDALIN
MANDELONITRILEBETAGENTIOBIOSIDE
MFCD00006598
OC(C@H)1O(C@@H)(OC(C@H)2O(C@@H)(O(C@H)(c3ccccc3)C#N)(C@@H)((C@H)((C@@H)2O)O)O)(C@@H)((C@H)((C@@H)1O)O)O
PHILLYRINFORSYTHINPHILLYROSIDE
VITAMINB17
ZINC000006858611
ZINC000008214484

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Available files

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