Vitas-M small molecule compound

ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK827295
SMILES N#CCCCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccc(c1)[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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-2-33-25(30)22-21(18-11-8-12-19(15-18)29(31)32)20(16-27)24(34-14-7-6-13-26)28-23(22)17-9-4-3-5-10-17/h3-5,8-12,15,21,28H,2,6-7,14H2,1H3
InChIKey
ABLFAOAYABABQW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)SCCCC#N)C3=CC=CC=C3
ethyl5cyano6((3cyanopropyl)sulfanyl)4(3nitrophenyl)2phenyl14dihydropyridine3carboxylate
ethyl5cyano6(3cyanopropylsulfanyl)4(3nitrophenyl)2phenyl14dihydropyridine3carboxylate
InChI=1SC25H22N4O4Sc123325(30)2221(181181219(1518)29(31)32)20(1627)24(3414761326)2823(22)1794351017h35812152128H26714H21H3
MFCD10087573
N#CCCCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccc(c1)(N+)(=O)(O)
ZINC000020348186
ZINC000020348188

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Available files

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