Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl benzoate
Catalog ID
STK116061
SMILES O=C(c1ccccc1)Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C26H22O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O5/c27-19-8-4-10-21-24(19)23(25-20(28)9-5-11-22(25)31-21)16-12-14-18(15-13-16)30-26(29)17-6-2-1-3-7-17/h1-3,6-7,12-15,23H,4-5,8-11H2InChIKey
JXRXKSHWOALUEB-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)benzoate
4(18dioxo23456789octahydro1Hxanthen9yl)phenylbenzoate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)C(=O)C1
InChI=1SC26H22O5c271984102124(19)23(2520(28)951122(25)3121)16121418(151316)3026(29)176213717h1367121523H45811H2
MFCD04276645
ZINC000001462452
ZINC01462452
ZINC1462452
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