Vitas-M small molecule compound

5-bromo-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[2-methyl-5-(propan-2-yl)benzyl]-1,3-dihydro-2H-indol-2-one

Catalog ID
STK272855
SMILES Brc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCCO3)C(=O)N2Cc1cc(ccc1C)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 C29H28BrNO5 MW 550.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrNO5/c1-17(2)19-5-4-18(3)21(12-19)16-31-24-8-7-22(30)14-23(24)29(34,28(31)33)15-25(32)20-6-9-26-27(13-20)36-11-10-35-26/h4-9,12-14,17,34H,10-11,15-16H2,1-3H3
InChIKey
CQJXMBQNFKRJRY-UHFFFAOYSA-N
Synonyms

3(2(2H3HBENZO(34E)14DIOXAN6YL)2OXOETHYL)5BROMO3HYDROXY1((2METHYL5(METHYLETHYL)PHENYL)METHYL)INDOLIN2ONE
5BROMO3(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)3HYDROXY1((2METHYL5PROPAN2YLPHENYL)METHYL)INDOL2ONE
5BROMO3(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)3HYDROXY1(2METHYL5(1METHYLETHYL)BENZYL)13DIHYDRO2HINDOL2ONE
5bromo3(2(23dihydro14benzodioxin6yl)2oxoethyl)3hydroxy1(2methyl5(propan2yl)benzyl)13dihydro2Hindol2one
CC1=C(C=C(C=C1)C(C)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C4=CC5=C(C=C4)OCCO5)O
InChI=1SC29H28BrNO5c117(2)195418(3)21(1219)1631248722(30)1423(24)29(3428(31)33)1525(32)20692627(1320)3611103526h4912141734H10111516H213H3
MFCD05661465
ZINC000101091253
ZINC000101091254

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Available files

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