Vitas-M small molecule compound
3-methyl-4-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK165659
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1C
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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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-12-3-7-15(8-4-12)20-13(2)18-19-17(20)24-11-14-5-9-16(10-6-14)21(22)23/h3-10H,11H2,1-2H3InChIKey
PHAHICPWEHPJFV-UHFFFAOYSA-NSynonyms
3METHYL4(4METHYLPHENYL)5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
3METHYL4(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C
Cc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1C
InChI=1SC17H16N4O2Sc1123715(8412)2013(2)181917(20)2411145916(10614)21(22)23h310H11H212H3
MFCD04210525
ZINC000000470703
ZINC00470703
ZINC470703
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