Vitas-M small molecule compound
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Catalog ID
STK779583
SMILES N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCCC2
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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 C15H14BrN5O3S MW 424.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14BrN5O3S/c1-8-13(16)14(21(23)24)19-20(8)7-12(22)18-15-10(6-17)9-4-2-3-5-11(9)25-15/h2-5,7H2,1H3,(H,18,22)InChIKey
KORNIBIXCGUGDU-UHFFFAOYSA-NSynonyms
2(4bromo5methyl3nitro1Hpyrazol1yl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
2(4bromo5methyl3nitropyrazol1yl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)(N+)(=O)(O))Br
InChI=1SC15H14BrN5O3Sc1813(16)14(21(23)24)1920(8)712(22)181510(617)9423511(9)2515h257H21H3(H1822)
MFCD05858713
N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCCC2
ZINC000001070718
ZINC01070718
ZINC1070718
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