Vitas-M small molecule compound
5,9,13,17-tetrakis(2-methylpropoxy)-1,21,23,25-tetrapropyl-1H,21H,23H,25H-19,3:20,2-di(metheno)[1,3,2]benzodioxaborocino[9',8':4,5][1,3,2]benzodioxaborocino[9,8-d][1,3,2]dioxaborocino[5,4-i][1,3,2]benzodioxaborocine
Catalog ID
STK529449
SMILES CCCC1c2cc3c4cc2OB(Oc2c1cc1c(c2)OB(OCC(C)C)Oc2c(C1CCC)cc1C(c5cc(C3CCC)c(OB(O4)OCC(C)C)cc5OB(Oc1c2)OCC(C)C)CCC)OCC(C)C
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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 C56H76B4O12 MW 984.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C56H76B4O12/c1-13-17-37-41-21-43-38(18-14-2)45-23-47-40(20-16-4)48-24-46-39(19-15-3)44-22-42(37)50-26-52(44)68-59(63-31-35(9)10)70-54(46)28-56(48)72-60(64-32-36(11)12)71-55(47)27-53(45)69-58(62-30-34(7)8)67-51(43)25-49(41)65-57(66-50)61-29-33(5)6InChIKey
HRTGVYDTNVWSRT-UHFFFAOYSA-NSynonyms
308289-94-3308289943
591317tetrakis(2methylpropoxy)1212325tetrapropyl1H21H23H25H193202di(metheno)(132)benzodioxaborocino(9845)(132)benzodioxaborocino(98d)(132)dioxaborocino(54i)(132)ben
B1(OC2=CC3=C4C=C2C(C5=CC6=C(C=C5O1)OB(OC7=CC8=C(C=C7C6CCC)C(C9=C(C=C(C(=C9)C4CCC)OB(O3)OCC(C)C)OB(O8)OCC(C)C)CCC)OCC(C)C)CCC)OCC(C)C
InChI=1SC56H76B4O12c113173741214338(18142)45234740(20164)48244639(19153)442242(37)502652(44)6859(633135(9)10)7054(46)2856(48)7260(643236(11)12)7155(47)2753(45)6958(623034(7)8)6751(43)2549(41)6557(6650)612933(5)6h21283340H13202932H2112H3
MFCD00779044
ZINC000195794438
ZINC195794438
ZODIOXABOROCINE
Check stock
See real-time availability and sample size for STK529449 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.