Vitas-M small molecule compound
7-(azepan-1-yl)-N-(2,5-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Catalog ID
STK833880
SMILES Cc1ccc(c(c1)Nc1cc(N2CCCCCC2)c2c(c1[N+](=O)[O-])non2)C
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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 C20H23N5O3 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3/c1-13-7-8-14(2)15(11-13)21-16-12-17(24-9-5-3-4-6-10-24)18-19(23-28-22-18)20(16)25(26)27/h7-8,11-12,21H,3-6,9-10H2,1-2H3InChIKey
ZCMMBWLOSKGGBH-UHFFFAOYSA-NSynonyms
7(azepan1yl)N(25dimethylphenyl)4nitro213benzoxadiazol5amine
7(azepan1yl)N(25dimethylphenyl)4nitrobenzo(c)(125)oxadiazol5amine
7AZEPAN1YLN(25DIMETHYLPHENYL)4NITRO213BENZOXADIAZOL5AMINE
CC1=CC(=C(C=C1)C)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)(N+)(=O)(O)
Cc1ccc(c(c1)Nc1cc(N2CCCCCC2)c2c(c1(N+)(=O)(O))non2)C
InChI=1SC20H23N5O3c1137814(2)15(1113)21161217(24953461024)1819(23282218)20(16)25(26)27h78111221H36910H212H3
MFCD02164342
ZINC000004817298
ZINC04817298
ZINC4817298
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