Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Catalog ID
STL330099
SMILES N#Cc1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCCCC2
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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 C16H17N5O3S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S/c1-10-7-14(21(23)24)19-20(10)9-15(22)18-16-12(8-17)11-5-3-2-4-6-13(11)25-16/h7H,2-6,9H2,1H3,(H,18,22)InChIKey
FOGRUPBLILNMKA-UHFFFAOYSA-NSynonyms
355804-90-9355804909
CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)(N+)(=O)(O)
InChI=1SC16H17N5O3Sc110714(21(23)24)1920(10)915(22)181612(817)115324613(11)2516h7H269H21H3(H1822)
MFCD01243824
N#Cc1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCCCC2
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(5methyl3nitro1Hpyrazol1yl)acetamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(5methyl3nitropyrazol1yl)acetamide
ZINC000002729099
ZINC02729099
ZINC2729099
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