Vitas-M small molecule compound

3,5-dimethyl-N-{(E)-[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-4H-1,2,4-triazol-4-amine

Catalog ID
STK759359
SMILES [O-][N+](=O)c1cc(ccc1N1CCOCC1)/C=N/n1c(C)nnc1C

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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 C15H18N6O3 MW 330.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N6O3/c1-11-17-18-12(2)20(11)16-10-13-3-4-14(15(9-13)21(22)23)19-5-7-24-8-6-19/h3-4,9-10H,5-8H2,1-2H3/b16-10+
InChIKey
KUVDBKZACFRPSO-MHWRWJLKSA-N
Synonyms

(E)N(35dimethyl124triazol4yl)1(4morpholin4yl3nitrophenyl)methanimine
(O)(N+)(=O)c1cc(ccc1N1CCOCC1)C=Nn1c(C)nnc1C
35dimethylN((E)(4(morpholin4yl)3nitrophenyl)methylidene)4H124triazol4amine
CC1=NN=C(N1N=CC2=CC(=C(C=C2)N3CCOCC3)(N+)(=O)(O))C
InChI=1SC15H18N6O3c111171812(2)20(11)1610133414(15(913)21(22)23)1957248619h34910H58H212H3b1610+
MFCD00758269
ZINC000004117143
ZINC35224856

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Available files

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