Vitas-M small molecule compound

2-butyl-3-[(4-nitrophenyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK065407
SMILES CCCCN1C(Nc2ccc(cc2)[N+](=O)[O-])C2=C(C1=O)CCCC2

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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 C18H23N3O3 MW 329.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O3/c1-2-3-12-20-17(15-6-4-5-7-16(15)18(20)22)19-13-8-10-14(11-9-13)21(23)24/h8-11,17,19H,2-7,12H2,1H3
InChIKey
MBBGBMJTZUCJDW-UHFFFAOYSA-N
Synonyms

2butyl3((4nitrophenyl)amino)234567hexahydro1Hisoindol1one
2butyl3(4nitroanilino)4567tetrahydro3Hisoindol1one
CCCCN1C(C2=C(C1=O)CCCC2)NC3=CC=C(C=C3)(N+)(=O)(O)
CCCCN1C(Nc2ccc(cc2)(N+)(=O)(O))C2=C(C1=O)CCCC2
InChI=1SC18H23N3O3c123122017(15645716(15)18(20)22)191381014(11913)21(23)24h8111719H2712H21H3
MFCD03034018
STK065407
ZINC000009554183
ZINC000009554184

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Available files

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