Vitas-M small molecule compound
4-{[2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK199950
SMILES OC(=O)c1ccc(cc1)COc1ccccc1C1C2=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 C27H24O6 MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24O6/c28-19-6-3-9-22-25(19)24(26-20(29)7-4-10-23(26)33-22)18-5-1-2-8-21(18)32-15-16-11-13-17(14-12-16)27(30)31/h1-2,5,8,11-14,24H,3-4,6-7,9-10,15H2,(H,30,31)InChIKey
RYSXQPNCTYKMKB-UHFFFAOYSA-NSynonyms
4((2(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)methyl)benzoicacid
4((2(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)methyl)benzoicacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4OCC5=CC=C(C=C5)C(=O)O)C(=O)C1
InChI=1SC27H24O6c28196392225(19)24(2620(29)741023(26)3322)18512821(18)321516111317(141216)27(30)31h1258111424H346791015H2(H3031)
MFCD03716697
ZINC000001115530
ZINC1115530
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