Vitas-M small molecule compound
4-nitro-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK156461
SMILES O=C1c2cccc(c2C(=O)N1c1ccc(cc1)c1nc2ccccc2c(=O)o1)[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 C22H11N3O6 MW 413.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H11N3O6/c26-20-15-5-3-7-17(25(29)30)18(15)21(27)24(20)13-10-8-12(9-11-13)19-23-16-6-2-1-4-14(16)22(28)31-19/h1-11HInChIKey
UIJDYJVBRWCQOW-UHFFFAOYSA-NSynonyms
4NITRO2(4(4OXO31BENZOXAZIN2YL)PHENYL)ISOINDOLE13DIONE
4NITRO2(4(4OXO4H31BENZOXAZIN2YL)PHENYL)1HISOINDOLE13(2H)DIONE
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)(N+)(=O)(O)
InChI=1SC22H11N3O6c26201553717(25(29)30)18(15)21(27)24(20)1310812(91113)192316621414(16)22(28)3119h111H
MFCD01186175
O=C1c2cccc(c2C(=O)N1c1ccc(cc1)c1nc2ccccc2c(=O)o1)(N+)(=O)(O)
ZINC000001210952
ZINC01210952
ZINC1210952
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