Vitas-M small molecule compound
2-methoxy-4-(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
STK143652
SMILES COc1cc(ccc1OC(=O)c1ccccc1F)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=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 C31H31FO6 MW 518.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FO6/c1-30(2)13-20(33)27-24(15-30)37-25-16-31(3,4)14-21(34)28(25)26(27)17-10-11-22(23(12-17)36-5)38-29(35)18-8-6-7-9-19(18)32/h6-12,26H,13-16H2,1-5H3InChIKey
PMSYLZPSVGGTTO-UHFFFAOYSA-NSynonyms
(2methoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)2fluorobenzoate
2methoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl2fluorobenzoate
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5F)OC)C(=O)C1)C
InChI=1SC31H31FO6c130(2)1320(33)2724(1530)37251631(34)1421(34)28(25)26(27)17101122(23(1217)365)3829(35)18867919(18)32h61226H1316H215H3
MFCD06067908
ZINC000013880298
ZINC13880298
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