Vitas-M small molecule compound

N-(azepan-1-ylcarbonothioyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide

Catalog ID
STK955079
SMILES S=C(N1CCCCCC1)NC(=O)c1c(Br)cnn1C

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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 C12H17BrN4OS MW 345.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17BrN4OS/c1-16-10(9(13)8-14-16)11(18)15-12(19)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,18,19)
InChIKey
SVTREKJDDVKTSD-UHFFFAOYSA-N
Synonyms
1005598-70-8
1005598708
CN1C(=C(C=N1)Br)C(=O)NC(=S)N2CCCCCC2
InChI=1SC12H17BrN4OSc11610(9(13)81416)11(18)1512(19)1764235717h8H27H21H3(H151819)
N(AZEPAN1YLCARBONOTHIOYL)4BROMO1METHYL1HPYRAZOLE5CARBOXAMIDE
N(azepane1carbothioyl)4bromo2methylpyrazole3carboxamide
ZINC02756131
ZINC2756131

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.