Vitas-M small molecule compound

2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl propanoate

Catalog ID
STK769695
SMILES CCC(=O)Oc1ccc(cc1OC)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 C27H32O6 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32O6/c1-7-22(30)33-18-9-8-15(10-19(18)31-6)23-24-16(28)11-26(2,3)13-20(24)32-21-14-27(4,5)12-17(29)25(21)23/h8-10,23H,7,11-14H2,1-6H3
InChIKey
NYVRKRFSIBGNHU-UHFFFAOYSA-N
Synonyms

(2methoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)propanoate
2methoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC
InChI=1SC27H32O6c1722(30)33189815(1019(18)316)232416(28)1126(23)1320(24)32211427(45)1217(29)25(21)23h81023H71114H216H3
MFCD03763492
ZINC000001071930
ZINC01071930
ZINC1071930

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Available files

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