Vitas-M small molecule compound

1-hydroxy-5-methyl-3-[(4-nitrobenzyl)oxy]-9H-xanthen-9-one

Catalog ID
STK598545
SMILES [O-][N+](=O)c1ccc(cc1)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

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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 C21H15NO6 MW 377.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO6/c1-12-3-2-4-16-20(24)19-17(23)9-15(10-18(19)28-21(12)16)27-11-13-5-7-14(8-6-13)22(25)26/h2-10,23H,11H2,1H3
InChIKey
ZHKCOIOHTDIOED-UHFFFAOYSA-N
Synonyms
879446-40-9
(O)(N+)(=O)c1ccc(cc1)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C
1hydroxy5methyl3((4nitrobenzyl)oxy)9Hxanthen9one
1HYDROXY5METHYL3((4NITROPHENYL)METHOXY)XANTHEN9ONE
879446409
CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H15NO6c1123241620(24)1917(23)915(1018(19)2821(12)16)2711135714(8613)22(25)26h21023H11H21H3
MFCD06782888
ZINC000005324388
ZINC05324388
ZINC5324388

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Available files

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