Vitas-M small molecule compound

N-(2-chloro-4-nitrophenyl)-N'-(tetrazolo[1,5-a]quinoxalin-4-yl)ethane-1,2-diamine

Catalog ID
STL432959
SMILES Clc1cc(ccc1NCCNc1nc2ccccc2n2c1nnn2)[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 C16H13ClN8O2 MW 384.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN8O2/c17-11-9-10(25(26)27)5-6-12(11)18-7-8-19-15-16-21-22-23-24(16)14-4-2-1-3-13(14)20-15/h1-6,9,18H,7-8H2,(H,19,20)
InChIKey
UWZGYUJCOLLDJY-UHFFFAOYSA-N
Synonyms

C1=CC=C2C(=C1)N=C(C3=NN=NN23)NCCNC4=C(C=C(C=C4)(N+)(=O)(O))Cl
Clc1cc(ccc1NCCNc1nc2ccccc2n2c1nnn2)(N+)(=O)(O)
InChI=1SC16H13ClN8O2c1711910(25(26)27)5612(11)187819151621222324(16)14421313(14)2015h16918H78H2(H1920)
MFCD13899562
N(2chloro4nitrophenyl)N(tetrazolo(15a)quinoxalin4yl)ethane12diamine
ZINC000020058988
ZINC20058988

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Available files

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