Vitas-M small molecule compound

N-[(E)-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine

Catalog ID
STK060651
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/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 C17H12F3N5O4 MW 407.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N5O4/c1-28-16-6-11(8-23-24-9-21-22-10-24)2-4-15(16)29-14-5-3-12(17(18,19)20)7-13(14)25(26)27/h2-10H,1H3/b23-8+
InChIKey
JCQZHRUQSLGMQJ-LIMNOBDPSA-N
Synonyms

(E)1(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)N(124triazol4yl)methanimine
1(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)N(124TRIAZOL4YL)METHANIMINE
COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=Nn1cnnc1
InChI=1SC17H12F3N5O4c12816611(82324921221024)2415(16)29145312(17(1819)20)713(14)25(26)27h210H1H3b238+
MFCD01066165
N((E)(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
STK060651
ZINC000001061635
ZINC1061633

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Available files

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