Vitas-M small molecule compound

6-tert-butyl-3-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one

Catalog ID
STK680694
SMILES [O-][N+](=O)c1cccc(c1)/C=N/Nc1nnc(c(=O)[nH]1)C(C)(C)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 C14H16N6O3 MW 316.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O3/c1-14(2,3)11-12(21)16-13(19-17-11)18-15-8-9-5-4-6-10(7-9)20(22)23/h4-8H,1-3H3,(H2,16,18,19,21)/b15-8+
InChIKey
YNSKWTCJGMZAEH-OVCLIPMQSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)C=NNc1nnc(c(=O)(nH)1)C(C)(C)C
6tertbutyl3((2E)2((3nitrophenyl)methylidene)hydrazinyl)2H124triazin5one
6tertbutyl3((2E)2(3nitrobenzylidene)hydrazinyl)124triazin5(4H)one
CC(C)(C)C1=NNC(=NC1=O)NN=CC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC14H16N6O3c114(23)1112(21)1613(191711)18158954610(79)20(22)23h48H13H3(H216181921)b158+
MFCD03460864
ZINC000005976740
ZINC33385172

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Available files

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