Vitas-M small molecule compound

methyl 2-({[5-(propan-2-yl)-1-benzofuran-3-yl]acetyl}amino)benzoate

Catalog ID
STK883169
SMILES COC(=O)c1ccccc1NC(=O)Cc1coc2c1cc(cc2)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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-13(2)14-8-9-19-17(10-14)15(12-26-19)11-20(23)22-18-7-5-4-6-16(18)21(24)25-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)
InChIKey
XRWZRWYBLNEZTK-UHFFFAOYSA-N
Synonyms

CC(C)C1=CC2=C(C=C1)OC=C2CC(=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC21H21NO4c113(2)14891917(1014)15(122619)1120(23)2218754616(18)21(24)253h4101213H11H213H3(H2223)
methyl2(((5(propan2yl)1benzofuran3yl)acetyl)amino)benzoate
methyl2((2(5propan2yl1benzofuran3yl)acetyl)amino)benzoate
MFCD06651337
ZINC000006809867
ZINC06809867
ZINC6809867

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Available files

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