Vitas-M small molecule compound

9-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK199248
SMILES COc1cc(cc(c1OCc1ccccc1Cl)Br)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 C31H32BrClO5 MW 599.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrClO5/c1-30(2)12-21(34)27-24(14-30)38-25-15-31(3,4)13-22(35)28(25)26(27)18-10-19(32)29(23(11-18)36-5)37-16-17-8-6-7-9-20(17)33/h6-11,26H,12-16H2,1-5H3
InChIKey
VOTNCQMXIXZNFY-UHFFFAOYSA-N
Synonyms

9(3bromo4((2chlorobenzyl)oxy)5methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3bromo4((2chlorophenyl)methoxy)5methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5Cl)OC)C(=O)C1)C
InChI=1SC31H32BrClO5c130(2)1221(34)2724(1430)38251531(34)1322(35)28(25)26(27)181019(32)29(23(1118)365)371617867920(17)33h61126H1216H215H3
MFCD01785814
ZINC000100212865
ZINC100212865

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Available files

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