Vitas-M small molecule compound

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

Catalog ID
STK267653
SMILES Brc1ccc(c(c1)NCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])C

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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 C16H12BrN3O4 MW 390.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O4/c1-9-2-3-10(17)6-14(9)18-8-19-15(21)12-5-4-11(20(23)24)7-13(12)16(19)22/h2-7,18H,8H2,1H3
InChIKey
ICNPUKPICSQNGE-UHFFFAOYSA-N
Synonyms

2(((5bromo2methylphenyl)amino)methyl)5nitro1Hisoindole13(2H)dione
2(((5BROMO2METHYLPHENYL)AMINO)METHYL)5NITROBENZO(C)AZOLINE13DIONE
2((5BROMO2METHYLANILINO)METHYL)5NITROISOINDOLE13DIONE
2((5BROMO2METHYLPHENYLAMINO)METHYL)5NITROISOINDOLE13DIONE
Brc1ccc(c(c1)NCN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))C
CC1=C(C=C(C=C1)Br)NCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC16H12BrN3O4c192310(17)614(9)1881915(21)125411(20(23)24)713(12)16(19)22h2718H8H21H3
MFCD00391837
ZINC000000778002
ZINC00778002
ZINC778002

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Available files

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