Vitas-M small molecule compound
9-[4-(benzyloxy)-3,5-dichlorophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199954
SMILES O=C1CCCC2=C1C(c1cc(Cl)c(c(c1)Cl)OCc1ccccc1)C1=C(O2)CCCC1=O
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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 C26H22Cl2O4 MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2O4/c27-17-12-16(13-18(28)26(17)31-14-15-6-2-1-3-7-15)23-24-19(29)8-4-10-21(24)32-22-11-5-9-20(30)25(22)23/h1-3,6-7,12-13,23H,4-5,8-11,14H2InChIKey
WDEPAWFAMOGLRE-UHFFFAOYSA-NSynonyms
9(35dichloro4phenylmethoxyphenyl)345679hexahydro2Hxanthene18dione
9(4(benzyloxy)35dichlorophenyl)345679hexahydro1Hxanthene18(2H)dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5)Cl)C(=O)C1
InChI=1SC26H22Cl2O4c27171216(1318(28)26(17)3114156213715)232419(29)841021(24)3222115920(30)25(22)23h1367121323H4581114H2
MFCD03697267
ZINC000000661410
ZINC00661410
ZINC661410
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