Vitas-M small molecule compound
4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK198810
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C27H23BrO6 MW 523.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrO6/c28-18-13-17(11-12-21(18)33-14-15-7-9-16(10-8-15)27(31)32)24-25-19(29)3-1-5-22(25)34-23-6-2-4-20(30)26(23)24/h7-13,24H,1-6,14H2,(H,31,32)InChIKey
IGKDGJGGAWEDFG-UHFFFAOYSA-NSynonyms
4((2bromo4(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)methyl)benzoicacid
4((2bromo4(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)methyl)benzoicacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Br)C(=O)C1
InChI=1SC27H23BrO6c28181317(111221(18)3314157916(10815)27(31)32)242519(29)31522(25)342362420(30)26(23)24h71324H1614H2(H3132)
MFCD03861776
ZINC000000661598
ZINC661598
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