Vitas-M small molecule compound

1-(7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-yl)pyrrolidine

Catalog ID
STK874245
SMILES [O-][N+](=O)c1ccc2c(c1)C=C1C(O2)(CCCC1)N1CCCC1

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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 C17H20N2O3 MW 300.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3/c20-19(21)15-6-7-16-13(12-15)11-14-5-1-2-8-17(14,22-16)18-9-3-4-10-18/h6-7,11-12H,1-5,8-10H2
InChIKey
KVFKCSNCZVQICP-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c(c1)C=C1C(O2)(CCCC1)N1CCCC1
1(7nitro1234tetrahydro4aHxanthen4ayl)pyrrolidine
1(7nitro1234tetrahydroxanthen4ayl)pyrrolidine
1(7nitro2344atetrahydro1Hxanthen4ayl)pyrrolidine
C1CCC2(C(=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))C1)N4CCCC4
InChI=1SC17H20N2O3c2019(21)15671613(1215)1114512817(142216)189341018h671112H15810H2
MFCD02231209
ZINC000019904338
ZINC000019904340

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.