Vitas-M small molecule compound
9-(3,5-dibromo-4-ethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK111839
SMILES CCOc1c(Br)cc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C21H20Br2O4 MW 496.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Br2O4/c1-2-26-21-12(22)9-11(10-13(21)23)18-19-14(24)5-3-7-16(19)27-17-8-4-6-15(25)20(17)18/h9-10,18H,2-8H2,1H3InChIKey
WZYOJJKEBDHBBI-UHFFFAOYSA-NSynonyms
9(35dibromo4ethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(35dibromo4ethoxyphenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=C(C=C1Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br
InChI=1SC21H20Br2O4c12262112(22)911(1013(21)23)181914(24)53716(19)271784615(25)20(17)18h91018H28H21H3
MFCD05625200
ZINC000009763359
ZINC09763359
ZINC9763359
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