Vitas-M small molecule compound
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307274
SMILES CCc1ccccc1n1c(S)nnc1C(n1nc(c(c1C)[N+](=O)[O-])C)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 C17H20N6O2S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O2S/c1-5-13-8-6-7-9-14(13)21-16(18-19-17(21)26)12(4)22-11(3)15(23(24)25)10(2)20-22/h6-9,12H,5H2,1-4H3,(H,19,26)InChIKey
VHKKLUIGAJZOTM-UHFFFAOYSA-NSynonyms
1005650-10-11005650101
3(1(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(2ETHYLPHENYL)1H124TRIAZOLE5THIONE
5((35DIMETHYL4NITROPYRAZOLYL)ETHYL)4(2ETHYLPHENYL)124TRIAZOLE3THIOL
5(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(2ethylphenyl)4H124triazole3thiol
CCC1=CC=CC=C1N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)(N+)(=O)(O))C
CCc1ccccc1n1c(S)nnc1C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC17H20N6O2Sc1513867914(13)2116(181917(21)26)12(4)2211(3)15(23(24)25)10(2)2022h6912H5H214H3(H1926)
MFCD04130608
ZINC000006419118
ZINC000006419120
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