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Vitas-M small molecule compound

ethyl 2-{6-bromo-4,5-dihydroxy-3-[(4-methylphenyl)carbonyl]-1-benzofuran-7-yl}-3-oxobutanoate

Catalog ID
STL342698
SMILES CCOC(=O)C(c1c(Br)c(O)c(c2c1occ2C(=O)c1ccc(cc1)C)O)C(=O)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 C22H19BrO7 MW 475.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrO7/c1-4-29-22(28)14(11(3)24)16-17(23)20(27)19(26)15-13(9-30-21(15)16)18(25)12-7-5-10(2)6-8-12/h5-9,14,26-27H,4H2,1-3H3
InChIKey
UYUXWHJPWJUMJI-UHFFFAOYSA-N
Synonyms
352553-52-7
2(6BROMO45DIHYDROXY3((4METHYLPHENYL)OXOMETHYL)7BENZOFURANYL)3OXOBUTANOICACIDETHYLESTER
2(6BROMO45DIHYDROXY3PTOLUOYLBENZOFURAN7YL)3KETOBUTYRICACIDETHYLESTER
352553527
CCOC(=O)C(C1=C(C(=C(C2=C1OC=C2C(=O)C3=CC=C(C=C3)C)O)O)Br)C(=O)C
ETHYL(2R)2(6BROMO45DIHYDROXY3(4METHYLBENZOYL)1BENZOFURAN7YL)3OXOBUTANOATE
ETHYL(2S)2(6BROMO45DIHYDROXY3(4METHYLBENZOYL)1BENZOFURAN7YL)3OXOBUTANOATE
ETHYL2(6BROMANYL3(4METHYLPHENYL)CARBONYL45BIS(OXIDANYL)1BENZOFURAN7YL)3OXIDANYLIDENEBUTANOATE
ethyl2(6bromo45dihydroxy3((4methylphenyl)carbonyl)1benzofuran7yl)3oxobutanoate
ETHYL2(6BROMO45DIHYDROXY3(4METHYLBENZOYL)1BENZOFURAN7YL)3OXOBUTANOATE
ethyl2(6bromo45dihydroxy3(4methylbenzoyl)benzofuran7yl)3oxobutanoate
InChI=1SC22H19BrO7c142922(28)14(11(3)24)1617(23)20(27)19(26)1513(93021(15)16)18(25)127510(2)6812h59142627H4H213H3
MFCD02945701
ZINC000002403993
ZINC000002403994

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Available files

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