Vitas-M small molecule compound

2-(3-methoxypropyl)-6-[(3-methoxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294747
SMILES COCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)CCCOC)[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 C20H23N3O6 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6/c1-28-10-4-8-21-18-13-6-3-7-14-17(13)15(12-16(18)23(26)27)20(25)22(19(14)24)9-5-11-29-2/h3,6-7,12,21H,4-5,8-11H2,1-2H3
InChIKey
PYBNQJQLNUQWAW-UHFFFAOYSA-N
Synonyms

2(3methoxypropyl)6((3methoxypropyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(3methoxypropyl)6(3methoxypropylamino)5nitrobenzo(de)isoquinoline13dione
COCCCNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCCOC)(N+)(=O)(O)
COCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)CCCOC)(N+)(=O)(O)
InChI=1SC20H23N3O6c12810482118136371417(13)15(1216(18)23(26)27)20(25)22(19(14)24)9511292h3671221H45811H212H3
MFCD00697465
ZINC000095470827
ZINC95470827

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Available files

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