Vitas-M small molecule compound
9-{4-[(2-chlorobenzyl)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
STK199247
SMILES COc1cc(cc(c1OCc1ccccc1Cl)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 C31H32ClIO5 MW 646.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClIO5/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)37-16-17-8-6-7-9-19(17)32/h6-11,26H,12-16H2,1-5H3InChIKey
DPWBLUIEHQSIFN-UHFFFAOYSA-NSynonyms
9(4((2chlorobenzyl)oxy)3iodo5methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((2chlorophenyl)methoxy)3iodo5methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC5=CC=CC=C5Cl)OC)C(=O)C1)C
InChI=1SC31H32ClIO5c130(2)1221(34)2724(1430)38251531(34)1322(35)28(25)26(27)181020(33)29(23(1118)365)371617867919(17)32h61126H1216H215H3
MFCD03547832
ZINC000150361679
ZINC150361679
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