Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-3-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine

Catalog ID
STK688331
SMILES [O-][N+](=O)c1cn[nH]c1c1n[nH]c(n1)Nc1ccc2c(c1)OCO2

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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 C12H9N7O4 MW 315.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N7O4/c20-19(21)7-4-13-16-10(7)11-15-12(18-17-11)14-6-1-2-8-9(3-6)23-5-22-8/h1-4H,5H2,(H,13,16)(H2,14,15,17,18)
InChIKey
YOHDCRNZDFDTNT-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cn(nH)c1c1n(nH)c(n1)Nc1ccc2c(c1)OCO2
C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=C(C=NN4)(N+)(=O)(O)
InChI=1SC12H9N7O4c2019(21)74131610(7)111512(181711)1461289(36)235228h14H5H2(H1316)(H214151718)
MFCD07657317
N(13benzodioxol5yl)3(4nitro1Hpyrazol5yl)1H124triazol5amine
N(13BENZODIOXOL5YL)5(4NITRO1HPYRAZOL5YL)1H124TRIAZOL3AMINE
ZINC000012375171
ZINC12375171

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Available files

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