Vitas-M small molecule compound
9-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK392632
SMILES COc1cc(ccc1OCc1c(F)cccc1Cl)C1C2=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 C31H32ClFO5 MW 539.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClFO5/c1-30(2)12-21(34)28-25(14-30)38-26-15-31(3,4)13-22(35)29(26)27(28)17-9-10-23(24(11-17)36-5)37-16-18-19(32)7-6-8-20(18)33/h6-11,27H,12-16H2,1-5H3InChIKey
VZWVXKQDORTSLU-UHFFFAOYSA-NSynonyms
9(4((2chloro6fluorobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((2chloro6fluorophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=C(C=CC=C5Cl)F)OC)C(=O)C1)C
InChI=1SC31H32ClFO5c130(2)1221(34)2825(1430)38261531(34)1322(35)29(26)27(28)1791023(24(1117)365)37161819(32)76820(18)33h61127H1216H215H3
MFCD01066326
ZINC000004156722
ZINC4156722
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