Vitas-M small molecule compound
9-(3-bromo-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198903
SMILES O=C1CCCC2=C1C(c1ccc(c(c1)Br)O)C1=C(O2)CCCC1=O
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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 C19H17BrO4 MW 389.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrO4/c20-11-9-10(7-8-12(11)21)17-18-13(22)3-1-5-15(18)24-16-6-2-4-14(23)19(16)17/h7-9,17,21H,1-6H2InChIKey
RELKBWXEMXCDKX-UHFFFAOYSA-NSynonyms
9(3bromo4hydroxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromo4hydroxyphenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)O)Br)C(=O)C1
InChI=1SC19H17BrO4c2011910(7812(11)21)171813(22)31515(18)241662414(23)19(16)17h791721H16H2
MFCD03649646
ZINC000001156618
ZINC01156618
ZINC1156618
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