Vitas-M small molecule compound

2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK750471
SMILES COCCCn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-]

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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 C16H13N3O7 MW 359.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O7/c1-26-4-2-3-17-15(20)12-7-10(18(22)23)5-9-6-11(19(24)25)8-13(14(9)12)16(17)21/h5-8H,2-4H2,1H3
InChIKey
RGWXTYXTEUPRDJ-UHFFFAOYSA-N
Synonyms

2(3methoxypropyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3METHOXYPROPYL)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
COCCCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)(N+)(=O)(O))(N+)(=O)(O)
COCCCn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H13N3O7c1264231715(20)12710(18(22)23)59611(19(24)25)813(14(9)12)16(17)21h58H24H21H3
MFCD00660018
ZINC000004402388
ZINC04402388
ZINC4402388

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Available files

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