Vitas-M small molecule compound
7-bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Catalog ID
STK676725
SMILES Brc1ccc2c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O2)CC(CC1=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 C23H25BrO4 MW 445.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24)5-6-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19,25H,8-11H2,1-4H3InChIKey
KKGFFQSFDZJSEK-UHFFFAOYSA-NSynonyms
7bromo9(2hydroxy44dimethyl6oxocyclohex1en1yl)33dimethyl2349tetrahydro1Hxanthen1one
7BROMO9(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)33DIMETHYL49DIHYDRO2HXANTHEN1ONE
7BROMO9(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)33DIMETHYL234TRIHYDROXANTHEN1ONE
CC1(CC(=C(C(=O)C1)C2C3=C(C=CC(=C3)Br)OC4=C2C(=O)CC(C4)(C)C)O)C
InChI=1SC23H25BrO4c122(2)814(25)20(15(26)922)1913712(24)5617(13)28181123(34)1016(27)21(18)19h571925H811H214H3
MFCD00521095
ZINC000001097787
ZINC000001097788
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