Vitas-M small molecule compound
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL403665
SMILES Cc1ccc(cc1)n1c(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 C16H18N6O2S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N6O2S/c1-9-5-7-13(8-6-9)20-15(17-18-16(20)25)12(4)21-11(3)14(22(23)24)10(2)19-21/h5-8,12H,1-4H3,(H,18,25)InChIKey
XACBESBOYSQKEX-UHFFFAOYSA-NSynonyms
957490-02-73(1(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(4METHYLPHENYL)1H124TRIAZOLE5THIONE
3(1(4NITRO35DIMETHYL1HPYRAZOL1YL)ETHYL)4(4METHYLPHENYL)5SULFANYL4H124TRIAZOLE
5(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(4methylphenyl)4H124triazole3thiol
957490027
CC1=CC=C(C=C1)N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)(N+)(=O)(O))C
Cc1ccc(cc1)n1c(S)nnc1C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC16H18N6O2Sc195713(869)2015(171816(20)25)12(4)2111(3)14(22(23)24)10(2)1921h5812H14H3(H1825)
MFCD04048225
ZINC000005426678
ZINC000005426682
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