Vitas-M small molecule compound

9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK199278
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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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 C25H29NO7 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO7/c1-6-32-17-8-13(7-14(23(17)29)26(30)31)20-21-15(27)9-24(2,3)11-18(21)33-19-12-25(4,5)10-16(28)22(19)20/h7-8,20,29H,6,9-12H2,1-5H3
InChIKey
XTFSXWWPJHVECM-UHFFFAOYSA-N
Synonyms

9(3ethoxy4hydroxy5nitrophenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4hydroxy5nitrophenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC25H29NO7c163217813(714(23(17)29)26(30)31)202115(27)924(23)1118(21)33191225(45)1016(28)22(19)20h782029H6912H215H3
MFCD03993169
ZINC000036201118
ZINC36201118

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Available files

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