Vitas-M small molecule compound

2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK279220
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C15H11ClN2O4 MW 318.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11ClN2O4/c16-9-3-4-10(11(6-9)18(21)22)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13H,5H2
InChIKey
KAHSFYVVEJYGAL-UHFFFAOYSA-N
Synonyms

2(4CHLORO2NITROPHENYL)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
C1C2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1CC2C=C1
InChI=1SC15H11ClN2O4c1693410(11(69)18(21)22)1714(19)127128(57)13(12)15(17)20h14681213H5H2
MFCD02215105
ZINC000100184246
ZINC000101359109

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Available files

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