Vitas-M small molecule compound

N-(4-tert-butylbenzyl)-2-nitro-5-(pyrrolidin-1-yl)aniline

Catalog ID
STK148682
SMILES [O-][N+](=O)c1ccc(cc1NCc1ccc(cc1)C(C)(C)C)N1CCCC1

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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 C21H27N3O2 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2/c1-21(2,3)17-8-6-16(7-9-17)15-22-19-14-18(23-12-4-5-13-23)10-11-20(19)24(25)26/h6-11,14,22H,4-5,12-13,15H2,1-3H3
InChIKey
ZXBFENFLCTYXQO-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1NCc1ccc(cc1)C(C)(C)C)N1CCCC1
CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3)(N+)(=O)(O)
InChI=1SC21H27N3O2c121(23)178616(7917)1522191418(2312451323)101120(19)24(25)26h6111422H45121315H213H3
MFCD02625894
N((4TERTBUTYLPHENYL)METHYL)2NITRO5PYRROLIDIN1YLANILINE
N(4TERTBUTYLBENZYL)2NITRO5(PYRROLIDIN1YL)ANILINE
ZINC000004182931
ZINC04182931
ZINC4182931

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Available files

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