Vitas-M small molecule compound
4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]methyl}benzoic acid
Catalog ID
STK198801
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)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 C28H26O7 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26O7/c1-33-24-14-18(12-13-21(24)34-15-16-8-10-17(11-9-16)28(31)32)25-26-19(29)4-2-6-22(26)35-23-7-3-5-20(30)27(23)25/h8-14,25H,2-7,15H2,1H3,(H,31,32)InChIKey
RJYCRXWLMTVHNR-UHFFFAOYSA-NSynonyms
4((4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenoxy)methyl)benzoicacid
4((4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenoxy)methyl)benzoicacid
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=C(C=C5)C(=O)O
InChI=1SC28H26O7c133241418(121321(24)34151681017(11916)28(31)32)252619(29)42622(26)352373520(30)27(23)25h81425H2715H21H3(H3132)
MFCD05625210
ZINC000002486834
ZINC2486834
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