Vitas-M small molecule compound
9-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199276
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)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 C27H24ClNO7 MW 509.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO7/c1-34-23-13-16(12-18(28)27(23)35-14-15-8-10-17(11-9-15)29(32)33)24-25-19(30)4-2-6-21(25)36-22-7-3-5-20(31)26(22)24/h8-13,24H,2-7,14H2,1H3InChIKey
NJHNDTATKYGIQY-UHFFFAOYSA-NSynonyms
9(3chloro5methoxy4((4nitrobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro5methoxy4((4nitrophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OCC5=CC=C(C=C5)(N+)(=O)(O)
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
InChI=1SC27H24ClNO7c134231316(1218(28)27(23)35141581017(11915)29(32)33)242519(30)42621(25)362273520(31)26(22)24h81324H2714H21H3
MFCD03649647
ZINC000009934642
ZINC09934642
ZINC9934642
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