Vitas-M small molecule compound
9-(3,5-dibromo-2-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199953
SMILES COc1c(Br)cc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Br
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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 C20H18Br2O4 MW 482.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Br2O4/c1-25-20-11(8-10(21)9-12(20)22)17-18-13(23)4-2-6-15(18)26-16-7-3-5-14(24)19(16)17/h8-9,17H,2-7H2,1H3InChIKey
HDDZVXCWSLHHRZ-UHFFFAOYSA-NSynonyms
9(35dibromo2methoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(35dibromo2methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=C(C=C1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)Br
InChI=1SC20H18Br2O4c1252011(810(21)912(20)22)171813(23)42615(18)261673514(24)19(16)17h8917H27H21H3
MFCD06663107
ZINC000009934783
ZINC09934783
ZINC9934783
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