Vitas-M small molecule compound

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

Catalog ID
STK199243
SMILES COc1cc(cc(c1OCc1ccc(cc1)Br)I)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 C31H32BrIO5 MW 691.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrIO5/c1-30(2)12-21(34)27-24(14-30)38-25-15-31(3,4)13-22(35)28(25)26(27)18-10-20(33)29(23(11-18)36-5)37-16-17-6-8-19(32)9-7-17/h6-11,26H,12-16H2,1-5H3
InChIKey
FDFPNMMRXRVJPG-UHFFFAOYSA-N
Synonyms

9(4((4bromobenzyl)oxy)3iodo5methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((4bromophenyl)methoxy)3iodo5methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC5=CC=C(C=C5)Br)OC)C(=O)C1)C
InChI=1SC31H32BrIO5c130(2)1221(34)2724(1430)38251531(34)1322(35)28(25)26(27)181020(33)29(23(1118)365)3716176819(32)9717h61126H1216H215H3
MFCD03547675
ZINC000150361479
ZINC150361479

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Available files

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