Vitas-M small molecule compound
[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
Catalog ID
STL507862
SMILES OC(=O)COc1ccc(cc1Br)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
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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 C25H27BrO6 MW 503.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrO6/c1-24(2)8-15(27)22-18(10-24)32-19-11-25(3,4)9-16(28)23(19)21(22)13-5-6-17(14(26)7-13)31-12-20(29)30/h5-7,21H,8-12H2,1-4H3,(H,29,30)InChIKey
UNSUUDXGOSMJHH-UHFFFAOYSA-NSynonyms
(2bromo4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenoxy)aceticacid
1004201
2(2bromo4(3366tetramethyl18dioxo4579tetrahydro2~(H)xanthen9yl)phenoxy)aceticacid
InChI=1SC25H27BrO6c124(2)815(27)2218(1024)32191125(34)916(28)23(19)21(22)135617(14(26)713)311220(29)30h5721H812H214H3(H2930)
MFCD03861814
ZINC000008396379
ZINC8396379
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