Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK198808
SMILES Cc1ccc(cc1)S(=O)(=O)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 C26H24O6S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24O6S/c1-16-8-14-19(15-9-16)33(29,30)32-18-12-10-17(11-13-18)24-25-20(27)4-2-6-22(25)31-23-7-3-5-21(28)26(23)24/h8-15,24H,2-7H2,1H3InChIKey
OUCVEUANCVBJLO-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC26H24O6Sc11681419(15916)33(2930)3218121017(111318)242520(27)42622(25)312373521(28)26(23)24h81524H27H21H3
MFCD03707795
ZINC000002998765
ZINC02998765
ZINC2998765
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