Vitas-M small molecule compound
5-bromo-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214633
SMILES C#CCN1c2ccc(cc2C(C1=O)(O)CC(=O)c1cc(C)ccc1C)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 C21H18BrNO3 MW 412.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO3/c1-4-9-23-18-8-7-15(22)11-17(18)21(26,20(23)25)12-19(24)16-10-13(2)5-6-14(16)3/h1,5-8,10-11,26H,9,12H2,2-3H3InChIKey
SUNOYWSEDZKAKY-UHFFFAOYSA-NSynonyms
5BROMO3(2(25DIMETHYLPHENYL)2OXOETHYL)3HYDROXY1(2PROPYNYL)13DIHYDRO2HINDOL2ONE
5BROMO3(2(25DIMETHYLPHENYL)2OXOETHYL)3HYDROXY1(PROP2YN1YL)13DIHYDRO2HINDOL2ONE
5BROMO3(2(25DIMETHYLPHENYL)2OXOETHYL)3HYDROXY1PROP2YNYLINDOL2ONE
CC1=CC(=C(C=C1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC#C)O
InChI=1SC21H18BrNO3c14923188715(22)1117(18)21(2620(23)25)1219(24)161013(2)5614(16)3h158101126H912H223H3
MFCD03837066
ZINC000004554842
ZINC000004554843
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