Vitas-M small molecule compound

N-benzyl-N,N-dimethyl-2-[(3-nitrophenyl)amino]-2-oxoethanaminium

Catalog ID
STL058694
SMILES O=C(C[N+](Cc1ccccc1)(C)C)Nc1cccc(c1)[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 C17H20N3O3 MW 314.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3/c1-20(2,12-14-7-4-3-5-8-14)13-17(21)18-15-9-6-10-16(11-15)19(22)23/h3-11H,12-13H2,1-2H3/p+1
InChIKey
BNCGRISFKYZBCL-UHFFFAOYSA-O
Synonyms

BENZYLDIMETHYL(2(3NITROANILINO)2OXOETHYL)AZANIUM
C(N+)(C)(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC17H19N3O3c120(212147435814)1317(21)1815961016(1115)19(22)23h311H1213H212H3p+1
NbenzylNNdimethyl2((3nitrophenyl)amino)2oxoethanaminium
NbenzylNNdimethyl2((3nitrophenyl)amino)2oxoethanaminiumbromide
O=C(C(N+)(Cc1ccccc1)(C)C)Nc1cccc(c1)(N+)(=O)(O)
O=C(C(N+)(Cc1ccccc1)(C)C)Nc1cccc(c1)(N+)(=O)(O)(Br)
ZINC000002294736
ZINC02294736
ZINC2294736

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Available files

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