Vitas-M small molecule compound

N-{2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl}-2-chloro-6-fluorobenzamide (non-preferred name)

Catalog ID
STK944451
SMILES O=C(NNc1ncnc(c1[N+](=O)[O-])N)CNC(=O)c1c(F)cccc1Cl

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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 C13H11ClFN7O4 MW 383.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClFN7O4/c14-6-2-1-3-7(15)9(6)13(24)17-4-8(23)20-21-12-10(22(25)26)11(16)18-5-19-12/h1-3,5H,4H2,(H,17,24)(H,20,23)(H3,16,18,19,21)
InChIKey
IOCVDPIUGAZFBI-UHFFFAOYSA-N
Synonyms
450346-10-8
450346108
C1=CC(=C(C(=C1)Cl)C(=O)NCC(=O)NNC2=NC=NC(=C2(N+)(=O)(O))N)F
InChI=1SC13H11ClFN7O4c1462137(15)9(6)13(24)1748(23)20211210(22(25)26)11(16)1851912h135H4H2(H1724)(H2023)(H316181921)
MFCD04453179
N(2((6AMINO5NITRO4PYRIMIDINYL)HYDRAZO)2OXOETHYL)2CHLORO6FLUOROBENZAMIDE
N(2(2(6AMINO5NITROPYRIMIDIN4YL)HYDRAZINYL)2OXOETHYL)2CHLORO6FLUOROBENZAMIDE
N(2(2(6amino5nitropyrimidin4yl)hydrazinyl)2oxoethyl)2chloro6fluorobenzamide(nonpreferredname)
N(2(2(6AZANYL5NITROPYRIMIDIN4YL)HYDRAZINYL)2OXIDANYLIDENEETHYL)2CHLORANYL6FLUORANYLBENZAMIDE
N(2(N(6AMINO5NITROPYRIMIDIN4YL)HYDRAZINO)2KETOETHYL)2CHLORO6FLUOROBENZAMIDE
O=C(NNc1ncnc(c1(N+)(=O)(O))N)CNC(=O)c1c(F)cccc1Cl
ZINC000009391669
ZINC09391669
ZINC9391669

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.