Vitas-M small molecule compound
9-(3-bromo-4-ethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK037538
SMILES CCOc1ccc(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 C21H21BrO4 MW 417.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrO4/c1-2-25-16-10-9-12(11-13(16)22)19-20-14(23)5-3-7-17(20)26-18-8-4-6-15(24)21(18)19/h9-11,19H,2-8H2,1H3InChIKey
PAGZWAKKLLQESB-UHFFFAOYSA-NSynonyms
9(3bromo4ethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromo4ethoxyphenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br
CCOc1ccc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
InChI=1SC21H21BrO4c12251610912(1113(16)22)192014(23)53717(20)261884615(24)21(18)19h91119H28H21H3
MFCD03707721
STK037538
ZINC000001157434
ZINC01157434
ZINC1157434
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