Vitas-M small molecule compound

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

Catalog ID
STK212962
SMILES C=CCN1c2ccc(cc2C(C1=O)(O)CC(=O)c1ccc2c(c1)OCCO2)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 C21H18BrNO5 MW 444.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO5/c1-2-7-23-16-5-4-14(22)11-15(16)21(26,20(23)25)12-17(24)13-3-6-18-19(10-13)28-9-8-27-18/h2-6,10-11,26H,1,7-9,12H2
InChIKey
BDFIQHIGWPYRBX-UHFFFAOYSA-N
Synonyms

1ALLYL5BROMO3(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)3HYDROXY13DIHYDRO2HINDOL2ONE
5bromo3(2(23dihydro14benzodioxin6yl)2oxoethyl)3hydroxy1(prop2en1yl)13dihydro2Hindol2one
5BROMO3(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)3HYDROXY1PROP2ENYLINDOL2ONE
C=CCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCCO4)O
InChI=1SC21H18BrNO5c12723165414(22)1115(16)21(2620(23)25)1217(24)13361819(1013)28982718h26101126H17912H2
MFCD08086262
ZINC000010058821
ZINC000010058822

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Available files

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