Vitas-M small molecule compound
9-{3-[(4-chlorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199534
SMILES Clc1ccc(cc1)COc1cccc(c1)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 C26H23ClO4 MW 434.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClO4/c27-18-12-10-16(11-13-18)15-30-19-5-1-4-17(14-19)24-25-20(28)6-2-8-22(25)31-23-9-3-7-21(29)26(23)24/h1,4-5,10-14,24H,2-3,6-9,15H2InChIKey
UMDLNCHRTUPMSS-UHFFFAOYSA-NSynonyms
9(3((4chlorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3((4chlorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OCC5=CC=C(C=C5)Cl)C(=O)C1
InChI=1SC26H23ClO4c2718121016(111318)15301951417(1419)242520(28)62822(25)312393721(29)26(23)24h145101424H236915H2
MFCD03708036
ZINC000001158127
ZINC01158127
ZINC1158127
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