Vitas-M small molecule compound
9-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL023781
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1c(F)cccc1Cl)C1=C(O2)CC(CC1=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 C30H30ClFO4 MW 509.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClFO4/c1-29(2)12-22(33)27-24(14-29)36-25-15-30(3,4)13-23(34)28(25)26(27)17-8-10-18(11-9-17)35-16-19-20(31)6-5-7-21(19)32/h5-11,26H,12-16H2,1-4H3InChIKey
CQIMLHPCDBQSAP-UHFFFAOYSA-NSynonyms
328266-29-1328266291
9(4((2chloro6fluorobenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((2chloro6fluorophenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=C(C=CC=C5Cl)F)C(=O)C1)C
InChI=1SC30H30ClFO4c129(2)1222(33)2724(1429)36251530(34)1323(34)28(25)26(27)1781018(11917)35161920(31)65721(19)32h51126H1216H214H3
MFCD01160677
ZINC000002200492
ZINC02200492
ZINC2200492
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