Vitas-M small molecule compound
N-[(E)-(4-bromothiophen-2-yl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL395868
SMILES Brc1csc(c1)/C=N/n1c(nnc1C)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 C14H14BrN7O2S2 MW 456.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14BrN7O2S2/c1-8-13(22(23)24)9(2)20(19-8)7-26-14-18-17-10(3)21(14)16-5-12-4-11(15)6-25-12/h4-6H,7H2,1-3H3/b16-5+InChIKey
OTEMGBOSSWFXBI-FZSIALSZSA-NSynonyms
1005578-35-7(E)1(4bromothiophen2yl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005578357
Brc1csc(c1)C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC(=CS3)Br)C)C)(N+)(=O)(O)
InChI=1SC14H14BrN7O2S2c1813(22(23)24)9(2)20(198)72614181710(3)21(14)16512411(15)62512h46H7H213H3b165+
MFCD05667548
N((E)(4BROMOTHIOPHEN2YL)METHYLIDENE)3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5METHYL4H124TRIAZOL4AMINE
ZINC000002733190
ZINC101587330
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