Vitas-M small molecule compound
9-{4-[(4-bromobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198894
SMILES Brc1ccc(cc1)COc1ccc(cc1)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 C26H23BrO4 MW 479.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrO4/c27-18-11-7-16(8-12-18)15-30-19-13-9-17(10-14-19)24-25-20(28)3-1-5-22(25)31-23-6-2-4-21(29)26(23)24/h7-14,24H,1-6,15H2InChIKey
UGAYSMJPJQVLBK-UHFFFAOYSA-NSynonyms
9(4((4bromobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((4bromophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Br)C(=O)C1
InChI=1SC26H23BrO4c271811716(81218)15301913917(101419)242520(28)31522(25)312362421(29)26(23)24h71424H1615H2
MFCD03707615
ZINC000001156865
ZINC01156865
ZINC1156865
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