Vitas-M small molecule compound
9-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-xanthen-1-one
Catalog ID
STK734412
SMILES COc1ccc2c(c1)OC1=C(C2C2=C(O)CCCC2=O)C(=O)CCC1
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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 C20H20O5 MW 340.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20O5/c1-24-11-8-9-12-17(10-11)25-16-7-3-6-15(23)20(16)18(12)19-13(21)4-2-5-14(19)22/h8-10,18,21H,2-7H2,1H3InChIKey
JMMFWLZZEBGXTR-UHFFFAOYSA-NSynonyms
9(2hydroxy6oxocyclohex1en1yl)6methoxy2349tetrahydro1Hxanthen1one
9(2hydroxy6oxocyclohexen1yl)6methoxy2349tetrahydroxanthen1one
COC1=CC2=C(C=C1)C(C3=C(O2)CCCC3=O)C4=C(CCCC4=O)O
InChI=1SC20H20O5c12411891217(1011)251673615(23)20(16)18(12)1913(21)42514(19)22h8101821H27H21H3
MFCD02934602
ZINC000100106935
ZINC000100106937
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