Vitas-M small molecule compound
1,21,23,25-tetrahexyl-5,9,13,17-tetrakis(2-methylpropoxy)-1H,21H,23H,25H-2,20:3,19-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
STL059052
SMILES CCCCCCC1c2cc3c4cc2OB(Oc2c1cc1c(c2)OB(OCC(C)C)Oc2c(C1CCCCCC)cc1C(c5cc(C3CCCCCC)c(OB(O4)OCC(C)C)cc5OB(Oc1c2)OCC(C)C)CCCCCC)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 C68H100B4O12 MW 1152.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C68H100B4O12/c1-13-17-21-25-29-49-53-33-55-50(30-26-22-18-14-2)57-35-59-52(32-28-24-20-16-4)60-36-58-51(31-27-23-19-15-3)56-34-54(49)62-38-64(56)80-71(75-43-47(9)10)82-66(58)40-68(60)84-72(76-44-48(11)12)83-67(59)39-65(57)81-70(74-42-46(7)8)79-63InChIKey
YJBWBBHYMOCJTL-UHFFFAOYSA-NSynonyms
1212325tetrahexyl591317tetrakis(2methylpropoxy)1H21H23H25H220319di(metheno)(132)benzodioxaborocino(9845)(132)benzodioxaborocino(98d)(132)dioxaborocino(54i)(132)benz
B1(OC2=CC3=C4C=C2C(C5=CC6=C(C=C5O1)OB(OC7=CC8=C(C=C7C6CCCCCC)C(C9=C(C=C(C(=C9)C4CCCCCC)OB(O3)OCC(C)C)OB(O8)OCC(C)C)CCCCCC)OCC(C)C)CCCCCC)OCC(C)C
InChI=1SC68H100B4O12c113172125294953335550(30262218142)57355952(32282420164)60365851(31272319153)563454(49)623864(56)8071(754347(9)10)8266(58)4068(60)8472(764448(11)12)8367(59)3965(57)8170(744246(7)8)7963(55)3761(53)7769(7862)734145(5)6h33404552H1332
MFCD00779045
ODIOXABOROCINE
Check stock
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Check stock on Vitas-MAvailable files
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