Vitas-M small molecule compound

5-bromo-1-butyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one

Catalog ID
STK214324
SMILES CCCCN1c2ccc(cc2C(C1=O)(O)CC(=O)c1ccc(cc1)C)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 C21H22BrNO3 MW 416.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO3/c1-3-4-11-23-18-10-9-16(22)12-17(18)21(26,20(23)25)13-19(24)15-7-5-14(2)6-8-15/h5-10,12,26H,3-4,11,13H2,1-2H3
InChIKey
JCLCAYHGLYMAPK-UHFFFAOYSA-N
Synonyms

5BROMO1BUTYL3HYDROXY3(2(4METHYLPHENYL)2OXOETHYL)13DIHYDRO2HINDOL2ONE
5BROMO1BUTYL3HYDROXY3(2(4METHYLPHENYL)2OXOETHYL)INDOL2ONE
CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=C(C=C3)C)O
InChI=1SC21H22BrNO3c13411231810916(22)1217(18)21(2620(23)25)1319(24)157514(2)6815h5101226H341113H212H3
MFCD05028682
ZINC000002478964
ZINC000004166096

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Available files

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