Vitas-M small molecule compound
9-{2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK758222
SMILES Clc1ccc(c(c1)Cl)COc1ccccc1C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)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 C30H30Cl2O4 MW 525.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30Cl2O4/c1-29(2)12-21(33)27-24(14-29)36-25-15-30(3,4)13-22(34)28(25)26(27)19-7-5-6-8-23(19)35-16-17-9-10-18(31)11-20(17)32/h5-11,26H,12-16H2,1-4H3InChIKey
AXIUYCKSGDMAJC-UHFFFAOYSA-NSynonyms
312632-74-9312632749
9(2((24dichlorobenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(2((24dichlorophenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC30H30Cl2O4c129(2)1221(33)2724(1429)36251530(34)1322(34)28(25)26(27)19756823(19)35161791018(31)1120(17)32h51126H1216H214H3
MFCD01036112
ZINC000004512902
ZINC04512902
ZINC4512902
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