Vitas-M small molecule compound
2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK198909
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C1C2=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 C26H24O6S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24O6S/c1-16-12-14-17(15-13-16)33(29,30)32-21-9-3-2-6-18(21)24-25-19(27)7-4-10-22(25)31-23-11-5-8-20(28)26(23)24/h2-3,6,9,12-15,24H,4-5,7-8,10-11H2,1H3InChIKey
FXJHTXSEXSQPSB-UHFFFAOYSA-NSynonyms
(2(18dioxo345679hexahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
2(18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC26H24O6Sc116121417(151316)33(2930)3221932618(21)242519(27)741022(25)3123115820(28)26(23)24h2369121524H45781011H21H3
MFCD03707541
ZINC000002997589
ZINC02997589
ZINC2997589
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