Vitas-M small molecule compound

2-{[(2-chlorophenyl)amino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK661539
SMILES Clc1ccccc1NCN1C(=O)c2c(C1=O)cccc2[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 C15H10ClN3O4 MW 331.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN3O4/c16-10-5-1-2-6-11(10)17-8-18-14(20)9-4-3-7-12(19(22)23)13(9)15(18)21/h1-7,17H,8H2
InChIKey
HTQDNBVIDRPMNK-UHFFFAOYSA-N
Synonyms

2(((2chlorophenyl)amino)methyl)4nitro1Hisoindole13(2H)dione
2((2CHLOROANILINO)METHYL)4NITROISOINDOLE13DIONE
C1=CC=C(C(=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O))Cl
Clc1ccccc1NCN1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC15H10ClN3O4c1610512611(10)1781814(20)943712(19(22)23)13(9)15(18)21h1717H8H2
MFCD00745494
ZINC000000059909
ZINC00059909
ZINC59909

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Available files

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