Vitas-M small molecule compound
9-{2-[(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
STK673959
SMILES COc1cccc(c1OCc1ccc(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)27-24(14-30)38-25-15-31(3,4)13-22(35)28(25)26(27)19-7-6-8-23(36-5)29(19)37-16-17-9-10-18(32)11-20(17)33/h6-11,26H,12-16H2,1-5H3InChIKey
BSTYHKIPTVDXBP-UHFFFAOYSA-NSynonyms
9(2((24dichlorobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(2((24dichlorophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C(=CC=C4)OC)OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC31H32Cl2O5c130(2)1221(34)2724(1430)38251531(34)1322(35)28(25)26(27)1976823(365)29(19)37161791018(32)1120(17)33h61126H1216H215H3
MFCD01066295
ZINC000002188877
ZINC02188877
ZINC2188877
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