Vitas-M small molecule compound

4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STK029703
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)OC(OC1=O)(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 C21H20O7 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O7/c1-20(2,3)21(4)27-18(24)15(19(25)28-21)11-14-9-10-16(26-14)12-5-7-13(8-6-12)17(22)23/h5-11H,1-4H3,(H,22,23)/b15-11-
InChIKey
YMLZOMNPIWWXKZ-PTNGSMBKSA-N
Synonyms

4(5((2tertbutyl2methyl46dioxo13dioxan5ylidene)methyl)furan2yl)benzoicacid
MFCD02637204
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)OC(OC1=O)(C)C(C)(C)C
STK029703
ZINC000001185735

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Available files

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