Vitas-M small molecule compound

7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Catalog ID
STK551632
SMILES [O-][N+](=O)c1c(Nc2ccc(c(c2)Br)C)cc(c2c1non2)N1CCCCCC1

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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 C19H20BrN5O3 MW 446.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN5O3/c1-12-6-7-13(10-14(12)20)21-15-11-16(24-8-4-2-3-5-9-24)17-18(23-28-22-17)19(15)25(26)27/h6-7,10-11,21H,2-5,8-9H2,1H3
InChIKey
VQFROQSXGPDNTB-UHFFFAOYSA-N
Synonyms
799795-59-8
(O)(N+)(=O)c1c(Nc2ccc(c(c2)Br)C)cc(c2c1non2)N1CCCCCC1
7(azepan1yl)N(3bromo4methylphenyl)4nitro213benzoxadiazol5amine
7(azepan1yl)N(3bromo4methylphenyl)4nitrobenzo(c)(125)oxadiazol5amine
799795598
CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)(N+)(=O)(O))Br
InChI=1SC19H20BrN5O3c1126713(1014(12)20)21151116(2484235924)1718(23282217)19(15)25(26)27h67101121H2589H21H3
MFCD03677372
ZINC000009090163
ZINC09090163
ZINC9090163

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Available files

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