Vitas-M small molecule compound
2-{4-[(4-fluorobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STK160355
SMILES C=CCc1cc(cc(c1OCc1ccc(cc1)F)OC)/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 C27H21FO4 MW 428.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FO4/c1-3-6-19-13-18(14-23-25(29)21-7-4-5-8-22(21)26(23)30)15-24(31-2)27(19)32-16-17-9-11-20(28)12-10-17/h3-5,7-15H,1,6,16H2,2H3InChIKey
KCGKFNDIPRRWLW-UHFFFAOYSA-NSynonyms
2((4((4FLUOROPHENYL)METHOXY)3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)INDENE13DIONE
2(3ALLYL4((4FLUOROBENZYL)OXY)5METHOXYBENZYLIDENE)1HINDENE13(2H)DIONE
2(4((4FLUOROBENZYL)OXY)3METHOXY5(PROP2EN1YL)BENZYLIDENE)1HINDENE13(2H)DIONE
C=CCc1cc(cc(c1OCc1ccc(cc1)F)OC)C=C1C(=O)c2c(C1=O)cccc2
COC1=CC(=CC(=C1OCC2=CC=C(C=C2)F)CC=C)C=C3C(=O)C4=CC=CC=C4C3=O
InChI=1SC27H21FO4c136191318(142325(29)21745822(21)26(23)30)1524(312)27(19)32161791120(28)121017h35715H1616H22H3
MFCD03142994
ZINC000002123439
ZINC02123439
ZINC2123439
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