Vitas-M small molecule compound
2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate
Catalog ID
STL321940
SMILES CC(=O)OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)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 C25H28O5 MW 408.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O5/c1-14(26)29-19-12-24(2,3)10-16(27)22(19)21-15-8-6-7-9-18(15)30-20-13-25(4,5)11-17(28)23(20)21/h6-9,21H,10-13H2,1-5H3InChIKey
MBNUYNRJAIEFPR-UHFFFAOYSA-NSynonyms
15781-67-6(2(33DIMETHYL1OXO49DIHYDRO2HXANTHEN9YL)55DIMETHYL3OXOCYCLOHEXEN1YL)ACETATE
15781676
2(33dimethyl1oxo2349tetrahydro1Hxanthen9yl)55dimethyl3oxocyclohex1en1ylacetate
CC(=O)OC1=C(C(=O)CC(C1)(C)C)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C
InChI=1SC25H28O5c114(26)29191224(23)1016(27)22(19)2115867918(15)30201325(45)1117(28)23(20)21h6921H1013H215H3
MFCD01084949
ZINC000002294577
ZINC000002294578
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