Vitas-M small molecule compound
[2,4-dibromo-6-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
Catalog ID
STL484491
SMILES OC(=O)COc1c(Br)cc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Br
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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 C21H18Br2O6 MW 526.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2O6/c22-10-7-11(21(12(23)8-10)28-9-17(26)27)18-19-13(24)3-1-5-15(19)29-16-6-2-4-14(25)20(16)18/h7-8,18H,1-6,9H2,(H,26,27)InChIKey
XWPUIBAIDBRKIP-UHFFFAOYSA-NSynonyms
(24dibromo6(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)aceticacid
2(24dibromo6(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)aceticacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC(=C4OCC(=O)O)Br)Br)C(=O)C1
InChI=1SC21H18Br2O6c2210711(21(12(23)810)28917(26)27)181913(24)31515(19)291662414(25)20(16)18h7818H169H2(H2627)
MFCD03863647
ZINC000008461842
ZINC8461842
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