Vitas-M small molecule compound
N-(3-nitrobenzyl)-3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine
Catalog ID
STK246537
SMILES [O-][N+](=O)c1cccc(c1)CNc1[nH]nc(n1)c1cccs1
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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 C13H11N5O2S MW 301.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O2S/c19-18(20)10-4-1-3-9(7-10)8-14-13-15-12(16-17-13)11-5-2-6-21-11/h1-7H,8H2,(H2,14,15,16,17)InChIKey
VUARTKUGTJXHFB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)CNc1(nH)nc(n1)c1cccs1
C1=CC(=CC(=C1)(N+)(=O)(O))CNC2=NNC(=N2)C3=CC=CS3
InChI=1SC13H11N5O2Sc1918(20)104139(710)814131512(161713)115262111h17H8H2(H214151617)
MFCD08685153
N((3nitrophenyl)methyl)5thiophen2yl1H124triazol3amine
N(3nitrobenzyl)3(thiophen2yl)1H124triazol5amine
ZINC000009667654
ZINC09667654
ZINC9667654
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