Vitas-M small molecule compound
9-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198861
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C28H27ClO5 MW 478.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClO5/c1-2-32-25-15-17(13-14-22(25)33-16-18-7-3-4-8-19(18)29)26-27-20(30)9-5-11-23(27)34-24-12-6-10-21(31)28(24)26/h3-4,7-8,13-15,26H,2,5-6,9-12,16H2,1H3InChIKey
KTGJPUUJJHWTPG-UHFFFAOYSA-NSynonyms
9(4((2chlorobenzyl)oxy)3ethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((2chlorophenyl)methoxy)3ethoxyphenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=CC=C5Cl
InChI=1SC28H27ClO5c1232251517(131422(25)331618734819(18)29)262720(30)951123(27)34241261021(31)28(24)26h3478131526H25691216H21H3
MFCD03707553
ZINC000001156722
ZINC01156722
ZINC1156722
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