Vitas-M small molecule compound
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK956381
SMILES Cc1cccc(c1)n1c(S)nnc1Cn1nc(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 C15H16N6O2S MW 344.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N6O2S/c1-9-5-4-6-12(7-9)20-13(16-17-15(20)24)8-19-11(3)14(21(22)23)10(2)18-19/h4-7H,8H2,1-3H3,(H,17,24)InChIKey
LSXPJLREELNKNA-UHFFFAOYSA-NSynonyms
512814-02-73((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4(3METHYLPHENYL)1H124TRIAZOLE5THIONE
3((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)4(3METHYLPHENYL)5SULFANYL4H124TRIAZOLE
5((35dimethyl4nitro1Hpyrazol1yl)methyl)4(3methylphenyl)4H124triazole3thiol
512814027
CC1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
Cc1cccc(c1)n1c(S)nnc1Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC15H16N6O2Sc1954612(79)2013(161715(20)24)81911(3)14(21(22)23)10(2)1819h47H8H213H3(H1724)
MFCD03075201
ZINC000013133487
ZINC13133487
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