Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173826
SMILES Sc1nnc(n1/N=C/c1cccc(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 C10H7F2N5O2S MW 299.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7F2N5O2S/c11-8(12)9-14-15-10(20)16(9)13-5-6-2-1-3-7(4-6)17(18)19/h1-5,8H,(H,15,20)/b13-5+InChIKey
AIFWFALSKIIPGY-WLRTZDKTSA-NSynonyms
828280-64-43(difluoromethyl)4((E)(3nitrophenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(3nitrophenyl)methylidene)amino)4H124triazole3thiol
828280644
C1=CC(=CC(=C1)(N+)(=O)(O))C=NN2C(=NNC2=S)C(F)F
InChI=1SC10H7F2N5O2Sc118(12)9141510(20)16(9)13562137(46)17(18)19h158H(H1520)b135+
MFCD04056380
Sc1nnc(n1N=Cc1cccc(c1)(N+)(=O)(O))C(F)F
ZINC000002791028
ZINC2791027
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