Vitas-M small molecule compound
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2,6-difluorobenzoate
Catalog ID
STL428734
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OC(=O)c1c(F)cccc1F)C1=C(O2)CC(CC1=O)(C)C
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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 C30H28F2O5 MW 506.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28F2O5/c1-29(2)12-20(33)26-22(14-29)37-23-15-30(3,4)13-21(34)27(23)24(26)16-8-10-17(11-9-16)36-28(35)25-18(31)6-5-7-19(25)32/h5-11,24H,12-15H2,1-4H3InChIKey
HVDVQMNLPRSNKY-UHFFFAOYSA-NSynonyms
(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)26difluorobenzoate
4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl26difluorobenzoate
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC(=O)C5=C(C=CC=C5F)F)C(=O)C1)C
InChI=1SC30H28F2O5c129(2)1220(33)2622(1429)37231530(34)1321(34)27(23)24(26)1681017(11916)3628(35)2518(31)65719(25)32h51124H1215H214H3
MFCD03159419
ZINC000001061119
ZINC01061119
ZINC1061119
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