Vitas-M small molecule compound

5-(2-fluorophenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL054426
SMILES [O-][N+](=O)c1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1ccccc1F

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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 C17H12FN5O2S MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12FN5O2S/c18-14-9-3-2-8-13(14)16-20-21-17(26)22(16)19-11-5-7-12-6-1-4-10-15(12)23(24)25/h1-11H,(H,21,26)/b7-5+,19-11+
InChIKey
NJMIJFATLCHSHR-SPJXWURQSA-N
Synonyms
676624-78-5
(O)(N+)(=O)c1ccccc1C=CC=Nn1c(=S)(nH)nc1c1ccccc1F
3(2FLUOROPHENYL)4(((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
3(2FLUOROPHENYL)4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
4((1E3E)4(2NITROPHENYL)1AZABUTA13DIENYL)5(2FLUOROPHENYL)124TRIAZOLE3THIOL
5(2fluorophenyl)4(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)24dihydro3H124triazole3thione
5(2FLUOROPHENYL)4((E)3(2NITROPHENYL)PROP2EN(E)YLIDENEAMINO)4H(124)TRIAZOLE3THIOL
676624785
C1=CC=C(C(=C1)C=CC=NN2C(=NNC2=S)C3=CC=CC=C3F)(N+)(=O)(O)
InChI=1SC17H12FN5O2Sc1814932813(14)16202117(26)22(16)191157126141015(12)23(24)25h111H(H2126)b75+1911+
MFCD05735227
ZINC000002263458
ZINC15985258

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Available files

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