Vitas-M small molecule compound
(2S,3S,4R,5R,6S)-2-((2S)-4-((4R,6R,6aR,8aS,9S,10R)-6-(((2R,3S,4S,5R)-4,5-dihydroxy-3-(((3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,10-dihydroxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,
Catalog ID
STL565383
SMILES OCC1O[C@H](OC[C@H](CC[C@@]2(O)OC3C([C@@H]2C)[C@@]2(C(C3)C3CC=C4[C@](C3CC2)(C)[C@@H](C[C@@H](C4)O)O[C@@H]2OC[C@@H](C(C2O[C@@H]2OC(C)[C@@H](C(C2O)O)O)O)O)C)C)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 C44H72O18 MW 889.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3InChIKey
HWYCRLFVQVFKPD-OORZESOUSA-NSynonyms
(2S5R)2((2R5R)2(((6R7S9S13R14R16R)616dihydroxy7913trimethyl6((3S)3methyl4((2S5R)345trihydroxy6(hydroxymethyl)oxan2yl)oxybutyl)5oxapentacyclo(108002904801318)icos18en14yl)oxy)45dihydroxyoxan3yl)oxy6methyloxane345triol
44661480
InChI=1SC44H72O18c118(16563936(53)35(52)33(50)28(1545)5939)81144(55)19(2)3027(6244)14252376211222(46)1329(43(215)24(23)91042(2530)4)604138(32(49)26(47)175741)614037(54)34(51)31(48)20(3)5840h6182022414555H717H215H3t181920?22+23?24?25?26+27?28?29+30?31
MFCD32651650
OCC1O(C@H)(OC(C@H)(CC(C@@)2(O)OC3C((C@@H)2C)(C@@)2(C(C3)C3CC=C4(C@)(C3CC2)(C)(C@@H)(C(C@@H)(C4)O)O(C@H)2OC(C@H)(C(C2O(C@@H)2OC(C)(C@@H)(C(C2O)O)O)O)O)C)C)C(C((C@H)1O)O)O
ZINC000257360791
ZINC000257360794
Check stock
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Check stock on Vitas-MAvailable files
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