Vitas-M small molecule compound

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

Catalog ID
STK666975
SMILES COc1cc(ccc1OCc1ccc(cc1Cl)Cl)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 C31H32Cl2O5 MW 555.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32Cl2O5/c1-30(2)12-21(34)28-25(14-30)38-26-15-31(3,4)13-22(35)29(26)27(28)17-7-9-23(24(10-17)36-5)37-16-18-6-8-19(32)11-20(18)33/h6-11,27H,12-16H2,1-5H3
InChIKey
AYZXICUOOZLBSL-UHFFFAOYSA-N
Synonyms

9(4((24dichlorobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((24dichlorophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=C(C=C(C=C5)Cl)Cl)OC)C(=O)C1)C
InChI=1SC31H32Cl2O5c130(2)1221(34)2825(1430)38261531(34)1322(35)29(26)27(28)177923(24(1017)365)3716186819(32)1120(18)33h61127H1216H215H3
MFCD00824403
ZINC000003117196
ZINC3117196

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Available files

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