Vitas-M small molecule compound
3-(4-bromothiophen-2-yl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Catalog ID
STK964512
SMILES CCn1c(nnc1c1scc(c1)Br)SCn1nc(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 C14H15BrN6O2S2 MW 443.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15BrN6O2S2/c1-4-19-13(11-5-10(15)6-24-11)16-17-14(19)25-7-20-9(3)12(21(22)23)8(2)18-20/h5-6H,4,7H2,1-3H3InChIKey
XQUYDMSJZKAMPL-UHFFFAOYSA-NSynonyms
1005612-38-31005612383
3(4bromothiophen2yl)5(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)4ethyl4H124triazole
3(4BROMOTHIOPHEN2YL)5((35DIMETHYL4NITROPYRAZOL1YL)METHYLSULFANYL)4ETHYL124TRIAZOLE
CCN1C(=NN=C1SCN2C(=C(C(=N2)C)(N+)(=O)(O))C)C3=CC(=CS3)Br
CCn1c(nnc1c1scc(c1)Br)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC14H15BrN6O2S2c141913(11510(15)62411)161714(19)257209(3)12(21(22)23)8(2)1820h56H47H213H3
MFCD04050609
ZINC000002786160
ZINC02786160
ZINC2786160
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