Vitas-M small molecule compound

5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK190604
SMILES Brc1ccc2c(c1)C(O)(CC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N2Cc1ccc(cc1)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 C28H28BrNO3 MW 506.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrNO3/c1-18-5-7-19(8-6-18)17-30-24-14-13-22(29)15-23(24)28(33,26(30)32)16-25(31)20-9-11-21(12-10-20)27(2,3)4/h5-15,33H,16-17H2,1-4H3
InChIKey
KTOPMCMVVJJZRY-UHFFFAOYSA-N
Synonyms

5bromo3(2(4tertbutylphenyl)2oxoethyl)3hydroxy1((4methylphenyl)methyl)indol2one
5BROMO3(2(4TERTBUTYLPHENYL)2OXOETHYL)3HYDROXY1(4METHYLBENZYL)13DIHYDRO2HINDOL2ONE
CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C4=CC=C(C=C4)C(C)(C)C)O
InChI=1SC28H28BrNO3c1185719(8618)173024141322(29)1523(24)28(3326(30)32)1625(31)2091121(121020)27(23)4h51533H1617H214H3
MFCD08680344
ZINC000009948506
ZINC000009948507

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Available files

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