Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK150169
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)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 C27H26O7S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26O7S/c1-16-9-12-18(13-10-16)35(30,31)34-21-14-11-17(15-24(21)32-2)25-26-19(28)5-3-7-22(26)33-23-8-4-6-20(29)27(23)25/h9-15,25H,3-8H2,1-2H3InChIKey
YRKITCCXFZYFDW-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenyl)4methylbenzenesulfonate
4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5)OC
InChI=1SC27H26O7Sc11691218(131016)35(3031)3421141117(1524(21)322)252619(28)53722(26)332384620(29)27(23)25h91525H38H212H3
MFCD04570730
ZINC000009720417
ZINC09720417
ZINC9720417
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