Vitas-M small molecule compound
9-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK017916
SMILES Brc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)C
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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 C27H25BrO4 MW 493.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrO4/c1-16-8-10-17(11-9-16)15-31-22-13-12-18(28)14-19(22)25-26-20(29)4-2-6-23(26)32-24-7-3-5-21(30)27(24)25/h8-14,25H,2-7,15H2,1H3InChIKey
NKDVSLSCSRUTSS-UHFFFAOYSA-NSynonyms
9(5bromo2((4methylbenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(5bromo2((4methylphenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
Brc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)C
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC27H25BrO4c11681017(11916)153122131218(28)1419(22)252620(29)42623(26)322473521(30)27(24)25h81425H2715H21H3
MFCD04084918
STK017916
ZINC000013940229
ZINC13940229
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