Vitas-M small molecule compound

6-nitro-2-[4-(propan-2-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK276636
SMILES CC(c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3[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 C21H16N2O4 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4/c1-12(2)13-6-8-14(9-7-13)22-20(24)16-5-3-4-15-18(23(26)27)11-10-17(19(15)16)21(22)25/h3-12H,1-2H3
InChIKey
RAIKTBUGPJETCB-UHFFFAOYSA-N
Synonyms

6nitro2(4(propan2yl)phenyl)1Hbenzo(de)isoquinoline13(2H)dione
6NITRO2(4PROPAN2YLPHENYL)BENZO(DE)ISOQUINOLINE13DIONE
CC(C)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O
CC(c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O))C
InChI=1SC21H16N2O4c112(2)136814(9713)2220(24)165341518(23(26)27)111017(19(15)16)21(22)25h312H12H3
MFCD03899877
ZINC000001074598
ZINC01074598
ZINC1074598

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Available files

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