Vitas-M small molecule compound

2-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione

Catalog ID
STK040011
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)F)Br)/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 C25H18BrFO4 MW 481.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrFO4/c1-2-30-22-13-16(11-20-23(28)18-5-3-4-6-19(18)24(20)29)12-21(26)25(22)31-14-15-7-9-17(27)10-8-15/h3-13H,2,14H2,1H3
InChIKey
XKTBWTZUPSVHDD-UHFFFAOYSA-N
Synonyms

2((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)INDENE13DIONE
2(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYLIDENE)1HINDENE13(2H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC4=CC=C(C=C4)F
CCOc1cc(cc(c1OCc1ccc(cc1)F)Br)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H18BrFO4c1230221316(112023(28)18534619(18)24(20)29)1221(26)25(22)3114157917(27)10815h313H214H21H3
MFCD03141281
STK040011
ZINC000002123444
ZINC02123444
ZINC2123444

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Available files

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