Vitas-M small molecule compound

cycloheptyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403101
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCCC1

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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 C25H30N2O7 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7/c1-14-21(25(30)34-16-8-5-3-4-6-9-16)22(23-17(26-14)10-7-11-19(23)28)15-12-18(27(31)32)24(29)20(13-15)33-2/h12-13,16,22,26,29H,3-11H2,1-2H3
InChIKey
CSGQZSHDBKVAJJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)OC4CCCCCC4
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCCC1
cycloheptyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H30N2O7c11421(25(30)341685346916)22(2317(2614)1071119(23)28)151218(27(31)32)24(29)20(1315)332h121316222629H311H212H3
MFCD03146462
ZINC000095483289
ZINC000095483290

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Available files

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