Vitas-M small molecule compound
9-{5-chloro-2-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198809
SMILES Clc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)[N+](=O)[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 C26H22ClNO6 MW 479.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO6/c27-16-9-12-21(33-14-15-7-10-17(11-8-15)28(31)32)18(13-16)24-25-19(29)3-1-5-22(25)34-23-6-2-4-20(30)26(23)24/h7-13,24H,1-6,14H2InChIKey
UMMNZZKVCLRPHD-UHFFFAOYSA-NSynonyms
9(5chloro2((4nitrobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(5chloro2((4nitrophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Cl)OCC5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1
Clc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H22ClNO6c271691221(33141571017(11815)28(31)32)18(1316)242519(29)31522(25)342362420(30)26(23)24h71324H1614H2
MFCD03708186
ZINC000001158615
ZINC01158615
ZINC1158615
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