Vitas-M small molecule compound

1H-benzotriazol-1-yl(2-chloro-3,5-dinitrophenyl)methanone

Catalog ID
STK761712
SMILES [O-][N+](=O)c1cc(C(=O)n2nnc3c2cccc3)c(c(c1)[N+](=O)[O-])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 C13H6ClN5O5 MW 347.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H6ClN5O5/c14-12-8(5-7(18(21)22)6-11(12)19(23)24)13(20)17-10-4-2-1-3-9(10)15-16-17/h1-6H
InChIKey
GAGNXBPMZVOUHN-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(C(=O)n2nnc3c2cccc3)c(c(c1)(N+)(=O)(O))Cl
1Hbenzotriazol1yl(2chloro35dinitrophenyl)methanone
BENZOTRIAZOL1YL(2CHLORO35DINITROPHENYL)METHANONE
BENZOTRIAZOLYL2CHLORO35DINITROPHENYLKETONE
C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=CC(=C3Cl)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H6ClN5O5c14128(57(18(21)22)611(12)19(23)24)13(20)171042139(10)151617h16H
MFCD01870898
ZINC000003670671
ZINC03670671
ZINC3670671

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Available files

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