Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(2-fluorophenyl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL392091
SMILES Fc1ccccc1/C=N/n1c(nnc1C)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 C16H16FN7O2S MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16FN7O2S/c1-10-15(24(25)26)11(2)22(21-10)9-27-16-20-19-12(3)23(16)18-8-13-6-4-5-7-14(13)17/h4-8H,9H2,1-3H3/b18-8+InChIKey
YAHVNNSBEFIXSJ-QGMBQPNBSA-NSynonyms
1005643-00-4(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(2fluorophenyl)methanimine
1005643004
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)N((E)(2fluorophenyl)methylidene)5methyl4H124triazol4amine
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=CC=C3F)C)C)(N+)(=O)(O)
Fc1ccccc1C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H16FN7O2Sc11015(24(25)26)11(2)22(2110)92716201912(3)23(16)18813645714(13)17h48H9H213H3b188+
MFCD05667562
ZINC000002733209
ZINC101587252
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