Vitas-M small molecule compound

methyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

Catalog ID
STK840664
SMILES COC(=O)c1c(C)oc2c1cc(OCC(=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 C17H19BrO5 MW 383.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrO5/c1-9-15(16(20)21-5)10-6-13(11(18)7-12(10)23-9)22-8-14(19)17(2,3)4/h6-7H,8H2,1-5H3
InChIKey
DRNHVVJPFSVOGD-UHFFFAOYSA-N
Synonyms
308295-85-4
308295854
CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C(C)(C)C)C(=O)OC
InChI=1SC17H19BrO5c1915(16(20)215)10613(11(18)712(10)239)22814(19)17(23)4h67H8H215H3
METHYL5(33DIMETHYL2OXOBUTOXY)6BROMO2METHYLBENZO(B)FURAN3CARBOXYLATE
methyl6bromo5(33dimethyl2oxobutoxy)2methyl1benzofuran3carboxylate
METHYL6BROMO5(33DIMETHYL2OXOBUTOXY)2METHYLBENZOFURAN3CARBOXYLATE
MFCD02167027
ZINC000000623823
ZINC00623823
ZINC623823

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Available files

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