Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl 2-fluorobenzoate
Catalog ID
STK118215
SMILES COc1cc(ccc1OC(=O)c1ccccc1F)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 C27H23FO6 MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FO6/c1-32-23-14-15(12-13-20(23)34-27(31)16-6-2-3-7-17(16)28)24-25-18(29)8-4-10-21(25)33-22-11-5-9-19(30)26(22)24/h2-3,6-7,12-14,24H,4-5,8-11H2,1H3InChIKey
YCRHZVWPEHEQGU-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenyl)2fluorobenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenyl2fluorobenzoate
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC=CC=C5F
InChI=1SC27H23FO6c132231415(121320(23)3427(31)16623717(16)28)242518(29)841021(25)3322115919(30)26(22)24h2367121424H45811H21H3
MFCD04276647
ZINC000001462455
ZINC01462455
ZINC1462455
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