Vitas-M small molecule compound
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199277
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-2-28-17-10-11(9-12(21(17)25)22(26)27)18-19-13(23)5-3-7-15(19)29-16-8-4-6-14(24)20(16)18/h9-10,18,25H,2-8H2,1H3InChIKey
AWVHKFATHIPDQQ-UHFFFAOYSA-NSynonyms
9(3ethoxy4hydroxy5nitrophenyl)345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4hydroxy5nitrophenyl)345679hexahydro2Hxanthene18dione
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
InChI=1SC21H21NO7c1228171011(912(21(17)25)22(26)27)181913(23)53715(19)291684614(24)20(16)18h9101825H28H21H3
MFCD03716426
ZINC000036145028
ZINC36145028
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