Vitas-M small molecule compound
2-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1H-indene-1,3(2H)-dione
Catalog ID
STK160995
SMILES C#CCOc1c(Br)cc(cc1OCC)/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C21H15BrO4 MW 411.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrO4/c1-3-9-26-21-17(22)11-13(12-18(21)25-4-2)10-16-19(23)14-7-5-6-8-15(14)20(16)24/h1,5-8,10-12H,4,9H2,2H3InChIKey
YQXSKEODOUOWRV-UHFFFAOYSA-NSynonyms
2((3BROMO5ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)INDENE13DIONE
2(3BROMO5ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1HINDENE13(2H)DIONE
C#CCOc1c(Br)cc(cc1OCC)C=C1C(=O)c2c(C1=O)cccc2
CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C
InChI=1SC21H15BrO4c139262117(22)1113(1218(21)2542)101619(23)14756815(14)20(16)24h1581012H49H22H3
MFCD03923048
ZINC000002980588
ZINC02980588
ZINC2980588
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