Vitas-M small molecule compound
[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
Catalog ID
STL484492
SMILES OC(=O)COc1ccc(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 C21H19BrO6 MW 447.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrO6/c22-11-7-8-15(27-10-18(25)26)12(9-11)19-20-13(23)3-1-5-16(20)28-17-6-2-4-14(24)21(17)19/h7-9,19H,1-6,10H2,(H,25,26)InChIKey
USOAZDPUHVUKSC-UHFFFAOYSA-NSynonyms
(4bromo2(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)aceticacid
2(4bromo2(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)aceticacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC(=O)O)C(=O)C1
InChI=1SC21H19BrO6c22117815(271018(25)26)12(911)192013(23)31516(20)281762414(24)21(17)19h7919H1610H2(H2526)
MFCD05625204
ZINC000002486819
ZINC2486819
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