Vitas-M small molecule compound

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

Catalog ID
STK546343
SMILES COc1ccc(cc1[N+](=O)[O-])/C=N/Nc1nc(=O)[nH]nc1C

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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 C12H12N6O4 MW 304.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N6O4/c1-7-11(14-12(19)17-15-7)16-13-6-8-3-4-10(22-2)9(5-8)18(20)21/h3-6H,1-2H3,(H2,14,16,17,19)/b13-6+
InChIKey
GKQIVQUXCKZPCI-AWNIVKPZSA-N
Synonyms
469877-27-8
(E)5(2(4methoxy3nitrobenzylidene)hydrazinyl)6methyl124triazin3(2H)one
3NITRO4METHOXYBENZALDEHYDE(6METHYL3OXO23DIHYDRO124TRIAZIN5YL)HYDRAZONE
469877278
5(((1E)2(4METHOXY3NITROPHENYL)1AZAVINYL)AMINO)6METHYL2H124TRIAZIN3ONE
5((2E)2((4methoxy3nitrophenyl)methylidene)hydrazinyl)6methyl2H124triazin3one
5((2E)2(4methoxy3nitrobenzylidene)hydrazinyl)6methyl124triazin3(2H)one
5(N(1(4METHOXY3NITROPHENYL)METH(E)YLIDENE)HYDRAZINO)6METHYL2H(124)TRIAZIN3ONE
CC1=NNC(=O)N=C1NN=CC2=CC(=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=NNc1nc(=O)(nH)nc1C
InChI=1SC12H12N6O4c1711(1412(19)17157)1613683410(222)9(58)18(20)21h36H12H3(H214161719)b136+
MFCD02977336
ZINC000008830192
ZINC33378089

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Available files

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