Vitas-M small molecule compound

(E)-N-hydroxy-1-[3-nitro-4-(4H-1,2,4-triazol-3-ylsulfanyl)phenyl]methanimine

Catalog ID
STK118952
SMILES O/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1nnc[nH]1

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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 C9H7N5O3S MW 265.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7N5O3S/c15-12-4-6-1-2-8(7(3-6)14(16)17)18-9-10-5-11-13-9/h1-5,15H,(H,10,11,13)/b12-4+
InChIKey
SYAKJMNLWDBDHR-UUILKARUSA-N
Synonyms

(E)NHYDROXY1(3NITRO4(4H124TRIAZOL3YLSULFANYL)PHENYL)METHANIMINE
(NE)N((3NITRO4(1H124TRIAZOL5YLSULFANYL)PHENYL)METHYLIDENE)HYDROXYLAMINE
C1=CC(=C(C=C1C=NO)(N+)(=O)(O))SC2=NC=NN2
InChI=1SC9H7N5O3Sc151246128(7(36)14(16)17)18910511139h1515H(H101113)b124+
MFCD04176351
ON=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc(nH)1
ZINC000005995980

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Available files

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