Vitas-M small molecule compound
9-[2-(benzyloxy)-5-bromophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198888
SMILES Brc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccccc1
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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/c27-17-12-13-21(30-15-16-6-2-1-3-7-16)18(14-17)24-25-19(28)8-4-10-22(25)31-23-11-5-9-20(29)26(23)24/h1-3,6-7,12-14,24H,4-5,8-11,15H2InChIKey
ZXUPVYXCIORWQD-UHFFFAOYSA-NSynonyms
9(2(benzyloxy)5bromophenyl)345679hexahydro1Hxanthene18(2H)dione
9(5bromo2phenylmethoxyphenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C(=O)C1
InChI=1SC26H23BrO4c2717121321(3015166213716)18(1417)242519(28)841022(25)3123115920(29)26(23)24h1367121424H4581115H2
MFCD03707410
ZINC000001156308
ZINC01156308
ZINC1156308
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