Vitas-M small molecule compound
4-{[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK090666
SMILES Brc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)C(=O)O
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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/c28-17-11-12-21(33-14-15-7-9-16(10-8-15)27(31)32)18(13-17)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
GSWQQRNUOLNPDL-UHFFFAOYSA-NSynonyms
4((4bromo2(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)methyl)benzoicacid
4((4bromo2(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)methyl)benzoicacid
Brc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)C(=O)O
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)C(=O)O)C(=O)C1
InChI=1SC27H23BrO6c2817111221(3314157916(10815)27(31)32)18(1317)242519(29)31522(25)342362420(30)26(23)24h71324H1614H2(H3132)
MFCD03725593
STK090666
ZINC000003635433
ZINC3635433
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