Vitas-M small molecule compound
3-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-fluorobenzoate
Catalog ID
STK742136
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)OC(=O)c1ccccc1F)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 C30H29FO5 MW 488.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FO5/c1-29(2)13-21(32)26-23(15-29)36-24-16-30(3,4)14-22(33)27(24)25(26)17-8-7-9-18(12-17)35-28(34)19-10-5-6-11-20(19)31/h5-12,25H,13-16H2,1-4H3InChIKey
PBNIMHBLLCQFCB-UHFFFAOYSA-NSynonyms
5777-78-6(3(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)2fluorobenzoate
3(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl2fluorobenzoate
5777786
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5F)C(=O)C1)C
InChI=1SC30H29FO5c129(2)1321(32)2623(1529)36241630(34)1422(33)27(24)25(26)1787918(1217)3528(34)1910561120(19)31h51225H1316H214H3
MFCD02110909
ZINC000000709662
ZINC00709662
ZINC709662
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