Vitas-M small molecule compound

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

Catalog ID
STK035444
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C1

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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 C15H12N2O4 MW 284.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O4/c18-14-12-8-4-5-9(6-8)13(12)15(19)16(14)10-2-1-3-11(7-10)17(20)21/h1-5,7-9,12-13H,6H2
InChIKey
SHPJSIUHFNHXFW-UHFFFAOYSA-N
Synonyms

2(3NITROPHENYL)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC15H12N2O4c1814128459(68)13(12)15(19)16(14)1021311(710)17(20)21h15791213H6H2
MFCD00418233
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
STK035444
ZINC000100500154
ZINC000239203400

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Available files

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