Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK768569
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1)OC(F)(F)F)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 C28H27F3O5 MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F3O5/c1-26(2)11-17(32)23-21(13-26)35-22-14-27(3,4)12-18(33)24(22)25(23)20-10-9-19(34-20)15-5-7-16(8-6-15)36-28(29,30)31/h5-10,25H,11-14H2,1-4H3InChIKey
WUKJWNWOGDVMFR-UHFFFAOYSA-NSynonyms
3366tetramethyl9(5(4(trifluoromethoxy)phenyl)furan2yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(5(4(trifluoromethoxy)phenyl)furan2yl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=CC=C(C=C5)OC(F)(F)F)C(=O)C1)C
InChI=1SC28H27F3O5c126(2)1117(32)2321(1326)35221427(34)1218(33)24(22)25(23)2010919(3420)155716(8615)3628(2930)31h51025H1114H214H3
MFCD03308680
ZINC000002192709
ZINC02192709
ZINC2192709
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