Vitas-M small molecule compound
7-bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5-methoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Catalog ID
STK018419
SMILES COc1cc(Br)cc2c1OC1=C(C2C2=C(O)CC(CC2=O)(C)C)C(=O)CC(C1)(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 C24H27BrO5 MW 475.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrO5/c1-23(2)8-14(26)20(15(27)9-23)19-13-6-12(25)7-17(29-5)22(13)30-18-11-24(3,4)10-16(28)21(18)19/h6-7,19,26H,8-11H2,1-5H3InChIKey
ZUXJJAWGQUPQJR-UHFFFAOYSA-NSynonyms
7bromo9(2hydroxy44dimethyl6oxocyclohex1en1yl)5methoxy33dimethyl2349tetrahydro1Hxanthen1one
7BROMO9(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)5METHOXY33DIMETHYL49DIHYDRO2HXANTHEN1ONE
CC1(CC(=C(C(=O)C1)C2C3=CC(=CC(=C3OC4=C2C(=O)CC(C4)(C)C)OC)Br)O)C
COc1cc(Br)cc2c1OC1=C(C2C2=C(O)CC(CC2=O)(C)C)C(=O)CC(C1)(C)C
InChI=1SC24H27BrO5c123(2)814(26)20(15(27)923)1913612(25)717(295)22(13)30181124(34)1016(28)21(18)19h671926H811H215H3
MFCD03559297
STK018419
ZINC000008985476
ZINC000008985478
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