Vitas-M small molecule compound

2-(3-hydroxypropyl)-6-(morpholin-4-yl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL358612
SMILES OCCCn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)N1CCOCC1

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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 C19H19N3O6 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6/c23-8-2-5-21-18(24)13-4-1-3-12-16(13)14(19(21)25)11-15(22(26)27)17(12)20-6-9-28-10-7-20/h1,3-4,11,23H,2,5-10H2
InChIKey
IZYQGKKQDORIEZ-UHFFFAOYSA-N
Synonyms

2(3hydroxypropyl)6(morpholin4yl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(3hydroxypropyl)6morpholin4yl5nitrobenzo(de)isoquinoline13dione
C1COCCN1C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCO)(N+)(=O)(O)
InChI=1SC19H19N3O6c238252118(24)134131216(13)14(19(21)25)1115(22(26)27)17(12)20692810720h1341123H2510H2
MFCD05625777
OCCCn1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)N1CCOCC1
ZINC000059116466
ZINC59116466

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Available files

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