Vitas-M small molecule compound
2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK198826
SMILES CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)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 C32H35ClO7S MW 599.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35ClO7S/c1-7-38-24-13-19(12-21(33)30(24)40-41(36,37)20-10-8-18(2)9-11-20)27-28-22(34)14-31(3,4)16-25(28)39-26-17-32(5,6)15-23(35)29(26)27/h8-13,27H,7,14-17H2,1-6H3InChIKey
FFQTUKGBQYBVRP-UHFFFAOYSA-NSynonyms
(2chloro6ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
2chloro6ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Cl)OS(=O)(=O)C5=CC=C(C=C5)C
InChI=1SC32H35ClO7Sc1738241319(1221(33)30(24)4041(3637)2010818(2)91120)272822(34)1431(34)1625(28)39261732(56)1523(35)29(26)27h81327H71417H216H3
MFCD03699151
ZINC000002168819
ZINC02168819
ZINC2168819
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