Vitas-M small molecule compound
9-{3-[(2,4-dichlorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198904
SMILES Clc1ccc(c(c1)Cl)COc1cccc(c1)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 C26H22Cl2O4 MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2O4/c27-17-11-10-16(19(28)13-17)14-31-18-5-1-4-15(12-18)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
LJWWLKIGOOVSCC-UHFFFAOYSA-NSynonyms
9(3((24dichlorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3((24dichlorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1
InChI=1SC26H22Cl2O4c2717111016(19(28)1317)14311851415(1218)242520(29)62822(25)322393721(30)26(23)24h145101324H236914H2
MFCD03707444
ZINC000001156381
ZINC01156381
ZINC1156381
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