Vitas-M small molecule compound
4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK199952
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)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 C27H24O6 MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24O6/c28-20-3-1-5-22-25(20)24(26-21(29)4-2-6-23(26)33-22)17-11-13-19(14-12-17)32-15-16-7-9-18(10-8-16)27(30)31/h7-14,24H,1-6,15H2,(H,30,31)InChIKey
XXJQSKGRPNDEAN-UHFFFAOYSA-NSynonyms
4((4(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)methyl)benzoicacid
4((4(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)methyl)benzoicacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)C(=O)C1
InChI=1SC27H24O6c28203152225(20)24(2621(29)42623(26)3322)17111319(141217)3215167918(10816)27(30)31h71424H1615H2(H3031)
MFCD05625205
ZINC000002486820
ZINC2486820
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