Vitas-M small molecule compound
N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK156760
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=N/n1cnnc1
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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 C17H15N5O4 MW 353.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4/c1-25-17-8-14(9-20-21-11-18-19-12-21)4-7-16(17)26-10-13-2-5-15(6-3-13)22(23)24/h2-9,11-12H,10H2,1H3/b20-9+InChIKey
HXLRVYVYGUBEHG-AWQFTUOYSA-NSynonyms
(E)1(3methoxy4((4nitrophenyl)methoxy)phenyl)N(124triazol4yl)methanimine
1(3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)N(124TRIAZOL4YL)METHANIMINE
COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=Nn1cnnc1
InChI=1SC17H15N5O4c12517814(920211118191221)4716(17)2610132515(6313)22(23)24h291112H10H21H3b209+
MFCD03711195
N((E)(3METHOXY4((4NITROBENZYL)OXY)PHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
ZINC000001161095
ZINC1161094
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