Vitas-M small molecule compound

2-{[(3-acetylphenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK387036
SMILES CC(=O)c1cccc(c1)NCN1C(=O)c2c(C1=O)cc(cc2)[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 C17H13N3O5 MW 339.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5/c1-10(21)11-3-2-4-12(7-11)18-9-19-16(22)14-6-5-13(20(24)25)8-15(14)17(19)23/h2-8,18H,9H2,1H3
InChIKey
KTIYQLQLXPJLHZ-UHFFFAOYSA-N
Synonyms

1ACETYL3(((5NITRO13DIOXOBENZO(C)AZOLIN2YL)METHYL)AMINO)BENZENE
2(((3acetylphenyl)amino)methyl)5nitro1Hisoindole13(2H)dione
2(((3ACETYLPHENYL)AMINO)METHYL)5NITRO23DIHYDRO1HISOINDOLE13DIONE
2((3ACETYLANILINO)METHYL)5NITROISOINDOLE13DIONE
2((3ACETYLPHENYLAMINO)METHYL)5NITROISOINDOLE13DIONE
CC(=O)C1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
CC(=O)c1cccc(c1)NCN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC17H13N3O5c110(21)1132412(711)1891916(22)146513(20(24)25)815(14)17(19)23h2818H9H21H3
MFCD00221874
ZINC000000175696
ZINC00175696
ZINC175696

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Available files

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