Vitas-M small molecule compound
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-[(pentafluorobenzyl)oxy]-4H-chromene-2-carboxylate
Catalog ID
STK922686
SMILES CCOC(=O)c1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2c(=O)c1c1ccc2c(c1)OCCO2
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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 C27H17F5O7 MW 548.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17F5O7/c1-2-35-27(34)26-19(12-3-6-16-18(9-12)37-8-7-36-16)25(33)14-5-4-13(10-17(14)39-26)38-11-15-20(28)22(30)24(32)23(31)21(15)29/h3-6,9-10H,2,7-8,11H2,1H3InChIKey
NWVREYDUCPREKR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=C(C(=C(C(=C3F)F)F)F)F)C4=CC5=C(C=C4)OCCO5
ethyl3(23dihydro14benzodioxin6yl)4oxo7((23456pentafluorophenyl)methoxy)chromene2carboxylate
ethyl3(23dihydro14benzodioxin6yl)4oxo7((pentafluorobenzyl)oxy)4Hchromene2carboxylate
InChI=1SC27H17F5O7c123527(34)2619(12361618(912)37873616)25(33)145413(1017(14)3926)38111520(28)22(30)24(32)23(31)21(15)29h36910H27811H21H3
MFCD04156504
ZINC000002401695
ZINC2401695
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