Vitas-M small molecule compound

6-nitro-2-(tetrahydrofuran-2-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK662595
SMILES [O-][N+](=O)c1ccc2c3c1cccc3c(=O)n(c2=O)CC1CCCO1

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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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c20-16-12-5-1-4-11-14(19(22)23)7-6-13(15(11)12)17(21)18(16)9-10-3-2-8-24-10/h1,4-7,10H,2-3,8-9H2
InChIKey
NGYYHWDFIZTGMZ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c3c1cccc3c(=O)n(c2=O)CC1CCCO1
6(HYDROXY(OXIDO)AMINO)2(TETRAHYDRO2FURANYLMETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
6NITRO2(2OXOLANYLMETHYL)BENZO(DE)ISOQUINOLINE13DIONE
6NITRO2(OXOLAN2YLMETHYL)BENZO(DE)ISOQUINOLINE13DIONE
6nitro2(tetrahydrofuran2ylmethyl)1Hbenzo(de)isoquinoline13(2H)dione
6NITRO2(TETRAHYDROFURAN2YLMETHYL)23DIHYDRO1HBENZO(DE)ISOQUINOLINE13DIONE
6NITRO2(TETRAHYDROFURAN2YLMETHYL)BENZO(DE)ISOQUINOLINE13DIONE
6NITRO2(TETRAHYDROFURFURYL)BENZO(DE)ISOQUINOLINE13QUINONE
BENZO(DE)ISOQUINOLINE13DIONE6NITRO2(TETRAHYDROFURAN2YLMETHYL)
C1CC(OC1)CN2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O
InChI=1SC17H14N2O5c2016125141114(19(22)23)7613(15(11)12)17(21)18(16)9103282410h14710H2389H2
MFCD00239287
ZINC000004165963
ZINC000004165966

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Available files

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