Vitas-M small molecule compound

3-{[(E)-(4-nitrophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STK528296
SMILES [O-][N+](=O)c1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cccc1

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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 C17H11N5O4 MW 349.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N5O4/c23-16-15-14(12-3-1-2-4-13(12)19-15)20-17(24)21(16)18-9-10-5-7-11(8-6-10)22(25)26/h1-9,19H,(H,20,24)/b18-9+
InChIKey
LMJBHZBMYXJLOG-GIJQJNRQSA-N
Synonyms

(E)3((4nitrobenzylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
(O)(N+)(=O)c1ccc(cc1)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cccc1
3(((E)(4nitrophenyl)methylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
3((E)(4NITROPHENYL)METHYLIDENEAMINO)15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=O)N3)N=CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H11N5O4c23161514(12312413(12)1915)2017(24)21(16)189105711(8610)22(25)26h1919H(H2024)b189+
MFCD01960184
ZINC000017029078
ZINC33900234

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Available files

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