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ethyl 2-[({[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK547926
SMILES CCOC(=O)c1c(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2cccc(c2)[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 C25H24N4O6S2 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6S2/c1-2-35-25(32)22-16-8-3-4-9-19(16)37-24(22)28-21(31)13-36-23-18(12-26)17(11-20(30)27-23)14-6-5-7-15(10-14)29(33)34/h5-7,10,17H,2-4,8-9,11,13H2,1H3,(H,27,30)(H,28,31)
InChIKey
IVKUSDXLPFVQOP-UHFFFAOYSA-N
Synonyms
693233-29-3
693233293
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(CC(=O)N3)C4=CC(=CC=C4)(N+)(=O)(O))C#N
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2cccc(c2)(N+)(=O)(O))sc2c1CCCC2
ethyl2((((3cyano4(3nitrophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5cyano4(3nitrophenyl)2oxo34dihydro1Hpyridin6yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((3cyano4(3nitrophenyl)6oxo1456tetrahydropyridin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC25H24N4O6S2c123525(32)2216834919(16)3724(22)2821(31)13362318(1226)17(1120(30)2723)1465715(1014)29(33)34h571017H24891113H21H3(H2730)(H2831)
MFCD03665897
ZINC000002374511
ZINC000002374512

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Available files

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

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