Vitas-M small molecule compound

N-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-4H-1,2,4-triazol-4-amine

Catalog ID
STK996893
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/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 C16H17N7O3 MW 355.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7O3/c1-11-16(23(24)25)12(2)22(20-11)8-14-6-13(4-5-15(14)26-3)7-19-21-9-17-18-10-21/h4-7,9-10H,8H2,1-3H3/b19-7+
InChIKey
PVCLRPCTTQHAHW-FBCYGCLPSA-N
Synonyms
425411-65-0
(E)1(3((35dimethyl4nitropyrazol1yl)methyl)4methoxyphenyl)N(124triazol4yl)methanimine
(E)N(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxybenzylidene)4H124triazol4amine
1(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)N(124TRIAZOL4YL)METHANIMINE
425411650
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C=NN=C3)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=Nn1cnnc1
InChI=1SC16H17N7O3c11116(23(24)25)12(2)22(2011)814613(4515(14)263)71921917181021h47910H8H213H3b197+
MFCD02217619
N((E)(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)4H124triazol4amine
N(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYBENZYLIDENE)4H124TRIAZOL4AMINE
ZINC000001213297
ZINC1213296

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Available files

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