Vitas-M small molecule compound

4-{[bis(3,5-di-tert-butyl-4-hydroxybenzyl)ammonio]methyl}-2,6-di-tert-butylphenolate

Catalog ID
STK563960
SMILES [O-]c1c(cc(cc1C(C)(C)C)C[NH+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(C)(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 C45H69NO3 MW 672.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H69NO3/c1-40(2,3)31-19-28(20-32(37(31)47)41(4,5)6)25-46(26-29-21-33(42(7,8)9)38(48)34(22-29)43(10,11)12)27-30-23-35(44(13,14)15)39(49)36(24-30)45(16,17)18/h19-24,47-49H,25-27H2,1-18H3
InChIKey
BOQNWBDBDUWBMT-UHFFFAOYSA-N
Synonyms
752-60-3
(O)c1c(cc(cc1C(C)(C)C)C(NH+)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(C)(C)C
752603
MFCD00737091
ZINC000150381639

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.