Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-chlorobenzenesulfonate
Catalog ID
STK055996
SMILES Clc1ccc(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 C25H21ClO6S MW 484.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClO6S/c26-16-9-13-18(14-10-16)33(29,30)32-17-11-7-15(8-12-17)23-24-19(27)3-1-5-21(24)31-22-6-2-4-20(28)25(22)23/h7-14,23H,1-6H2InChIKey
MLUHBNBLLWQMDJ-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)4chlorobenzenesulfonate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl4chlorobenzenesulfonate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1
Clc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
InChI=1SC25H21ClO6Sc261691318(141016)33(2930)321711715(81217)232419(27)31521(24)312262420(28)25(22)23h71423H16H2
MFCD03714814
STK055996
ZINC000002815526
ZINC02815526
ZINC2815526
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