Vitas-M small molecule compound

methyl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate

Catalog ID
STK887987
SMILES COC(=O)c1c(C)oc2c1cc(OC(=O)C(C)(C)C)c(c2)Br

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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 C16H17BrO5 MW 369.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrO5/c1-8-13(14(18)20-5)9-6-12(10(17)7-11(9)21-8)22-15(19)16(2,3)4/h6-7H,1-5H3
InChIKey
QLJQLPNZYUGYQI-UHFFFAOYSA-N
Synonyms
308295-49-0
308295490
6BROMO3(METHOXYCARBONYL)2METHYLBENZO(B)FURAN5YL22DIMETHYLPROPANOATE
CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C(C)(C)C)C(=O)OC
InChI=1SC16H17BrO5c1813(14(18)205)9612(10(17)711(9)218)2215(19)16(23)4h67H15H3
METHYL6BROMO2METHYL5(PIVALOYLOXY)BENZOFURAN3CARBOXYLATE
methyl6bromo5((22dimethylpropanoyl)oxy)2methyl1benzofuran3carboxylate
METHYL6BROMO5(22DIMETHYLPROPANOYLOXY)2METHYL1BENZOFURAN3CARBOXYLATE
MFCD02166986
ZINC000000623861
ZINC00623861
ZINC623861

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Available files

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