Vitas-M small molecule compound
3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-fluorobenzoate
Catalog ID
STK027316
SMILES O=C1CCCC2=C1C(c1cccc(c1)OC(=O)c1ccccc1F)C1=C(O2)CCCC1=O
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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 C26H21FO5 MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FO5/c27-18-9-2-1-8-17(18)26(30)31-16-7-3-6-15(14-16)23-24-19(28)10-4-12-21(24)32-22-13-5-11-20(29)25(22)23/h1-3,6-9,14,23H,4-5,10-13H2InChIKey
NXCGOXIBMHWXGN-UHFFFAOYSA-NSynonyms
(3(18dioxo345679hexahydro2Hxanthen9yl)phenyl)2fluorobenzoate
3(18dioxo23456789octahydro1Hxanthen9yl)phenyl2fluorobenzoate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5F)C(=O)C1
InChI=1SC26H21FO5c2718921817(18)26(30)311673615(1416)232419(28)1041221(24)32221351120(29)25(22)23h13691423H451013H2
MFCD03143524
O=C1CCCC2=C1C(c1cccc(c1)OC(=O)c1ccccc1F)C1=C(O2)CCCC1=O
STK027316
ZINC000000659991
ZINC00659991
ZINC659991
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