Vitas-M small molecule compound

methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate

Catalog ID
STL315095
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1cc(c(c(c1)C(C)(C)C)O)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 C24H32O6 MW 416.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32O6/c1-13-9-18(25)21(28)22(30-13)15(12-19(26)29-8)14-10-16(23(2,3)4)20(27)17(11-14)24(5,6)7/h9-11,15,27-28H,12H2,1-8H3
InChIKey
PUQRAJHNHICGRC-UHFFFAOYSA-N
Synonyms
1574303-67-5
1574303675
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O
InChI=1SC24H32O6c113918(25)21(28)22(3013)15(1219(26)298)141016(23(23)4)20(27)17(1114)24(56)7h911152728H12H218H3
methyl3(35ditertbutyl4hydroxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
methyl3(35ditertbutyl4hydroxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanoate
MFCD28027061
ZINC000095476820
ZINC000095476821

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Available files

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