Vitas-M small molecule compound

7-chloro-N-(2,6-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Catalog ID
STK570211
SMILES [O-][N+](=O)c1c(Nc2c(C)cccc2C)cc(c2c1non2)Cl

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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 C14H11ClN4O3 MW 318.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN4O3/c1-7-4-3-5-8(2)11(7)16-10-6-9(15)12-13(18-22-17-12)14(10)19(20)21/h3-6,16H,1-2H3
InChIKey
VAKLPJNHWVQZAT-UHFFFAOYSA-N
Synonyms
526192-51-8
(O)(N+)(=O)c1c(Nc2c(C)cccc2C)cc(c2c1non2)Cl
526192518
7chloroN(26dimethylphenyl)4nitro213benzoxadiazol5amine
7chloroN(26dimethylphenyl)4nitrobenzo(c)(125)oxadiazol5amine
CC1=C(C(=CC=C1)C)NC2=C(C3=NON=C3C(=C2)Cl)(N+)(=O)(O)
InChI=1SC14H11ClN4O3c174358(2)11(7)161069(15)1213(18221712)14(10)19(20)21h3616H12H3
MFCD00576750
ZINC000005249965
ZINC05249965
ZINC5249965

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Available files

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