Vitas-M small molecule compound
5-(difluoromethyl)-4-({(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173870
SMILES Sc1nnc(n1/N=C/c1cccn1c1cccc(c1)[N+](=O)[O-])C(F)F
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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 C14H10F2N6O2S MW 364.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10F2N6O2S/c15-12(16)13-18-19-14(25)21(13)17-8-11-5-2-6-20(11)9-3-1-4-10(7-9)22(23)24/h1-8,12H,(H,19,25)/b17-8+InChIKey
GSFUSOVUJGRKPT-CAOOACKPSA-NSynonyms
828279-16-93(difluoromethyl)4((E)(1(3nitrophenyl)pyrrol2yl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(1(3nitrophenyl)1Hpyrrol2yl)methylidene)amino)4H124triazole3thiol
828279169
C1=CC(=CC(=C1)(N+)(=O)(O))N2C=CC=C2C=NN3C(=NNC3=S)C(F)F
InChI=1SC14H10F2N6O2Sc1512(16)13181914(25)21(13)1781152620(11)931410(79)22(23)24h1812H(H1925)b178+
MFCD04056323
Sc1nnc(n1N=Cc1cccn1c1cccc(c1)(N+)(=O)(O))C(F)F
ZINC000008418542
ZINC35679072
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