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)-6-methoxyphenoxy]methyl}benzoic acid
Catalog ID
STK198819
SMILES COc1cc(cc(c1OCc1ccc(cc1)C(=O)O)Br)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 C28H25BrO7 MW 553.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrO7/c1-34-23-13-17(12-18(29)27(23)35-14-15-8-10-16(11-9-15)28(32)33)24-25-19(30)4-2-6-21(25)36-22-7-3-5-20(31)26(22)24/h8-13,24H,2-7,14H2,1H3,(H,32,33)InChIKey
XPIQBAWSDHXIHT-UHFFFAOYSA-NSynonyms
4((2bromo4(18dioxo23456789octahydro1Hxanthen9yl)6methoxyphenoxy)methyl)benzoicacid
4((2bromo4(18dioxo345679hexahydro2Hxanthen9yl)6methoxyphenoxy)methyl)benzoicacid
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC5=CC=C(C=C5)C(=O)O
InChI=1SC28H25BrO7c134231317(1218(29)27(23)35141581016(11915)28(32)33)242519(30)42621(25)362273520(31)26(22)24h81324H2714H21H3(H3233)
MFCD05625212
ZINC000003635437
ZINC3635437
Check stock
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