Vitas-M small molecule compound
4-(3-chlorophenyl)-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL397615
SMILES Clc1cccc(c1)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 C15H15ClN6O2S MW 378.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN6O2S/c1-8-13(22(23)24)9(2)21(19-8)10(3)14-17-18-15(25)20(14)12-6-4-5-11(16)7-12/h4-7,10H,1-3H3,(H,18,25)InChIKey
POZPFMJTVHRJFL-UHFFFAOYSA-NSynonyms
958955-45-84(3CHLOROPHENYL)3(1(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4(3CHLOROPHENYL)3(1(4NITRO35DIMETHYL1HPYRAZOL1YL)ETHYL)5SULFANYL4H124TRIAZOLE
4(3CHLOROPHENYL)5(1(35DIMETHYL4NITRO1HPYRAZOL1YL)ETHYL)4H124TRIAZOLE3THIOL
958955458
CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CC(=CC=C3)Cl)C)(N+)(=O)(O)
Clc1cccc(c1)n1c(S)nnc1C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC15H15ClN6O2Sc1813(22(23)24)9(2)21(198)10(3)14171815(25)20(14)1264511(16)712h4710H13H3(H1825)
MFCD04048222
ZINC000005425108
ZINC000005425150
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