Vitas-M small molecule compound
9-{4-[(2,6-dichlorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK150161
SMILES O=C1CCCC2=C1C(c1ccc(cc1)OCc1c(Cl)cccc1Cl)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 C26H22Cl2O4 MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2O4/c27-18-4-1-5-19(28)17(18)14-31-16-12-10-15(11-13-16)24-25-20(29)6-2-8-22(25)32-23-9-3-7-21(30)26(23)24/h1,4-5,10-13,24H,2-3,6-9,14H2InChIKey
QMHYQFRMNXVMSS-UHFFFAOYSA-NSynonyms
9(4((26dichlorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((26dichlorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OCC5=C(C=CC=C5Cl)Cl)C(=O)C1
InChI=1SC26H22Cl2O4c271841519(28)17(18)143116121015(111316)242520(29)62822(25)322393721(30)26(23)24h145101324H236914H2
MFCD04529938
ZINC000009720414
ZINC09720414
ZINC9720414
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