Vitas-M small molecule compound
N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL402083
SMILES Cc1nnc(n1/N=C/c1c(F)cccc1Cl)SCn1nc(c(c1C)[N+](=O)[O-])C
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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 C16H15ClFN7O2S MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClFN7O2S/c1-9-15(25(26)27)10(2)23(22-9)8-28-16-21-20-11(3)24(16)19-7-12-13(17)5-4-6-14(12)18/h4-7H,8H2,1-3H3/b19-7+InChIKey
VGVJSMRPHZDNIO-FBCYGCLPSA-NSynonyms
1005642-54-5(E)1(2chloro6fluorophenyl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005642545
4((1E)2(2CHLORO6FLUOROPHENYL)1AZAVINYL)5((35DIMETHYL4NITROPYRAZOLYL)METHYLTHIO)3METHYL124TRIAZOLE
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=C(C=CC=C3Cl)F)C)C)(N+)(=O)(O)
Cc1nnc(n1N=Cc1c(F)cccc1Cl)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H15ClFN7O2Sc1915(25(26)27)10(2)23(229)82816212011(3)24(16)1971213(17)54614(12)18h47H8H213H3b197+
MFCD05667500
N((E)(2chloro6fluorophenyl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002733113
ZINC98064623
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