Vitas-M small molecule compound
bis(2-methoxyethyl) 2-(4-fluoro-3-phenoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK783434
SMILES COCCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)Oc1ccccc1)F)C(=O)OCCOC)(C)O
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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 C27H31FO9 MW 518.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FO9/c1-27(32)16-20(29)23(25(30)35-13-11-33-2)22(24(27)26(31)36-14-12-34-3)17-9-10-19(28)21(15-17)37-18-7-5-4-6-8-18/h4-10,15,22-24,32H,11-14,16H2,1-3H3InChIKey
CFVOTOSUBYRPIK-UHFFFAOYSA-NSynonyms
bis(2methoxyethyl)2(4fluoro3phenoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
CC1(CC(=O)C(C(C1C(=O)OCCOC)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)OCCOC)O
InChI=1SC27H31FO9c127(32)1620(29)23(25(30)351311332)22(24(27)26(31)361412343)1791019(28)21(1517)37187546818h41015222432H111416H213H3
MFCD06618222
ZINC000012402137
ZINC000217722441
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