Vitas-M small molecule compound
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Catalog ID
STK419913
SMILES CCCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cccc(c1C)[N+](=O)[O-]
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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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-3-5-13-8-9-15-16(11-21)20(27-18(15)10-13)22-19(24)14-6-4-7-17(12(14)2)23(25)26/h4,6-7,13H,3,5,8-10H2,1-2H3,(H,22,24)InChIKey
HXBOCDMMEZISPM-UHFFFAOYSA-NSynonyms
444933-27-1444933271
CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=CC=C3)(N+)(=O)(O))C
CCCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC20H21N3O3Sc13513891516(1121)20(2718(15)1013)2219(24)1464717(12(14)2)23(25)26h46713H35810H212H3(H2224)
MFCD02373075
N(3cyano6propyl4567tetrahydro1benzothiophen2yl)2methyl3nitrobenzamide
ZINC000000673353
ZINC000000673354
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