Vitas-M small molecule compound
3-(benzylsulfanyl)-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK122277
SMILES Cn1c(SCc2ccccc2)nnc1c1ccc(cc1)[N+](=O)[O-]
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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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c1-19-15(13-7-9-14(10-8-13)20(21)22)17-18-16(19)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3InChIKey
VQJVOMLRFLWVGW-UHFFFAOYSA-NSynonyms
3(BENZYLSULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3BENZYLSULFANYL4METHYL5(4NITROPHENYL)124TRIAZOLE
3BENZYLSULFANYL4METHYL5(4NITROPHENYL)4H(124)TRIAZOLE
CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(SCc2ccccc2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H14N4O2Sc11915(137914(10813)20(21)22)171816(19)2311125324612h210H11H21H3
MFCD02589479
ZINC000000373497
ZINC00373497
ZINC373497
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