Vitas-M small molecule compound
4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK198895
SMILES Clc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OS(=O)(=O)c1ccc(cc1)C
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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 C26H23ClO6S MW 498.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClO6S/c1-15-8-11-17(12-9-15)34(30,31)33-21-13-10-16(27)14-18(21)24-25-19(28)4-2-6-22(25)32-23-7-3-5-20(29)26(23)24/h8-14,24H,2-7H2,1H3InChIKey
SOHPBJNJTUIJOD-UHFFFAOYSA-NSynonyms
(4chloro2(18dioxo345679hexahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
4chloro2(18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC26H23ClO6Sc11581117(12915)34(3031)3321131016(27)1418(21)242519(28)42622(25)322373520(29)26(23)24h81424H27H21H3
MFCD03707797
ZINC000002998769
ZINC02998769
ZINC2998769
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