Vitas-M small molecule compound
3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL391930
SMILES CCn1c(nnc1CCn1nc(c(c1C)Br)C)SCc1ccc(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 C18H21BrN6O2S MW 465.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN6O2S/c1-4-23-16(9-10-24-13(3)17(19)12(2)22-24)20-21-18(23)28-11-14-5-7-15(8-6-14)25(26)27/h5-8H,4,9-11H2,1-3H3InChIKey
WZWJEZNWYSYKQJ-UHFFFAOYSA-NSynonyms
1005609-95-91005609959
3(2(4bromo35dimethyl1Hpyrazol1yl)ethyl)4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole
3(2(4BROMO35DIMETHYLPYRAZOL1YL)ETHYL)4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CCN3C(=C(C(=N3)C)Br)C
CCn1c(nnc1CCn1nc(c(c1C)Br)C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H21BrN6O2Sc142316(9102413(3)17(19)12(2)2224)202118(23)2811145715(8614)25(26)27h58H4911H213H3
MFCD04051580
ZINC000002782350
ZINC02782350
ZINC2782350
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