Vitas-M small molecule compound
4-{[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL395316
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/n1c(C)nnc1S
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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 C17H19N7O3S MW 401.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N7O3S/c1-10-16(24(25)26)11(2)22(21-10)9-14-7-13(5-6-15(14)27-4)8-18-23-12(3)19-20-17(23)28/h5-8H,9H2,1-4H3,(H,20,28)/b18-8+InChIKey
PBKQSIJLEODTHH-QGMBQPNBSA-NSynonyms
1005565-48-91005565489
4(((E)(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENE)AMINO)5METHYL4H124TRIAZOLE3THIOL
4((E)(3((35dimethyl4nitropyrazol1yl)methyl)4methoxyphenyl)methylideneamino)3methyl1H124triazole5thione
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=Nn1c(C)nnc1S
InChI=1SC17H19N7O3Sc11016(24(25)26)11(2)22(2110)914713(5615(14)274)8182312(3)192017(23)28h58H9H214H3(H2028)b188+
MFCD04053751
ZINC000002793720
ZINC2793719
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