Vitas-M small molecule compound
5-[chloro(difluoro)methyl]-4-{[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173760
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(S)nnc1C(Cl)(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 C18H14ClF2N5O4S MW 469.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClF2N5O4S/c1-29-15-8-12(9-22-25-16(18(19,20)21)23-24-17(25)31)4-7-14(15)30-10-11-2-5-13(6-3-11)26(27)28/h2-9H,10H2,1H3,(H,24,31)/b22-9+InChIKey
HKNOQYDLDNZSHY-LSFURLLWSA-NSynonyms
828285-39-83(chloro(difluoro)methyl)4((E)(3methoxy4((4nitrophenyl)methoxy)phenyl)methylideneamino)1H124triazole5thione
5(chloro(difluoro)methyl)4(((E)(3methoxy4((4nitrobenzyl)oxy)phenyl)methylidene)amino)4H124triazole3thiol
828285398
COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)(F)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=Nn1c(S)nnc1C(Cl)(F)F
InChI=1SC18H14ClF2N5O4Sc12915812(9222516(18(1920)21)232417(25)31)4714(15)3010112513(6311)26(27)28h29H10H21H3(H2431)b229+
MFCD04047795
ZINC000002791998
ZINC2791997
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