Vitas-M small molecule compound
(2R,3R,4R,5R,6R)-6-(acetoxymethyl)-5-chloro-2-(((2R,3S,4S,5S)-3,4-diacetoxy-2,5-bis(chloromethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate
Catalog ID
STL565042
SMILES ClCC1OC(C(C1OC(=O)C)OC(=O)C)(CCl)O[C@@H]1OC(COC(=O)C)[C@@H](C(C1OC(=O)C)OC(=O)C)Cl
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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 C22H29Cl3O13 MW 607.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3/t14?,15?,16-,17?,18?,19?,20?,21-,22?/m1/s1InChIKey
WBOCSUAOZWICQT-KDKSGWCUSA-NSynonyms
((3R6R)45diacetyloxy3chloro6(34diacetyloxy25bis(chloromethyl)oxolan2yl)oxyoxan2yl)methylacetate
(2R3R4R5R6R)6(acetoxymethyl)5chloro2(((2R3S4S5S)34diacetoxy25bis(chloromethyl)tetrahydrofuran2yl)oxy)tetrahydro2Hpyran34diyldiacetate
16395495
ClCC1OC(C(C1OC(=O)C)OC(=O)C)(CCl)O(C@H)1OC(COC(=O)C)(C@H)(C(C1OC(=O)C)OC(=O)C)Cl
InChI=1SC22H29Cl3O13c19(26)3171516(25)18(3311(3)28)19(3412(4)29)21(3615)3822(824)20(3513(5)30)17(3210(2)27)14(623)3722h1421H68H215H3t14?15?1617?18?19?20?2122?m1s1
ZINC000245285156
ZINC000253387828
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