Vitas-M small molecule compound

N-[2-(4-tert-butylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline

Catalog ID
STK754731
SMILES [O-][N+](=O)c1ccc(cc1NCCOc1ccc(cc1)C(C)(C)C)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 C22H29N3O4 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O4/c1-22(2,3)17-4-7-19(8-5-17)29-13-10-23-20-16-18(6-9-21(20)25(26)27)24-11-14-28-15-12-24/h4-9,16,23H,10-15H2,1-3H3
InChIKey
JJHXQXGDXFTYST-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1NCCOc1ccc(cc1)C(C)(C)C)N1CCOCC1
CC(C)(C)C1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCOCC3)(N+)(=O)(O)
InChI=1SC22H29N3O4c122(23)174719(8517)29131023201618(6921(20)25(26)27)24111428151224h491623H1015H213H3
MFCD00762438
N(2(4tertbutylphenoxy)ethyl)5(morpholin4yl)2nitroaniline
N(2(4TERTBUTYLPHENOXY)ETHYL)5MORPHOLIN4YL2NITROANILINE
ZINC000004455745
ZINC04455745
ZINC4455745

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Available files

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