Vitas-M small molecule compound
4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK852096
SMILES S=c1[nH]nc(n1/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1
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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 C16H12N6O2S MW 352.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N6O2S/c23-22(24)14-6-2-1-4-12(14)5-3-9-18-21-15(19-20-16(21)25)13-7-10-17-11-8-13/h1-11H,(H,20,25)/b5-3+,18-9+InChIKey
BGDHMNHCDBIAEF-OBQYLLBLSA-NSynonyms
498568-26-64(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)5(pyridin4yl)24dihydro3H124triazole3thione
4((1E3E)4(2NITROPHENYL)1AZABUTA13DIENYL)5(4PYRIDYL)124TRIAZOLE3THIOL
4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)3PYRIDIN4YL1H124TRIAZOLE5THIONE
498568266
C1=CC=C(C(=C1)C=CC=NN2C(=NNC2=S)C3=CC=NC=C3)(N+)(=O)(O)
InChI=1SC16H12N6O2Sc2322(24)14621412(14)539182115(192016(21)25)137101711813h111H(H2025)b53+189+
MFCD07206337
S=c1(nH)nc(n1N=CC=Cc1ccccc1(N+)(=O)(O))c1ccncc1
ZINC000006227838
ZINC33448901
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