Vitas-M small molecule compound

2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide

Catalog ID
STK827550
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=O)CC1c1cccc(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 C20H15N5O6S MW 453.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O6S/c21-10-17-16(12-2-1-3-15(8-12)25(30)31)9-18(26)23-20(17)32-11-19(27)22-13-4-6-14(7-5-13)24(28)29/h1-8,16H,9,11H2,(H,22,27)(H,23,26)
InChIKey
FVSCIFJVDWYTDM-UHFFFAOYSA-N
Synonyms

2((3cyano4(3nitrophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)N(4nitrophenyl)acetamide
2((5cyano4(3nitrophenyl)2oxo34dihydro1Hpyridin6yl)sulfanyl)N(4nitrophenyl)acetamide
C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H15N5O6Sc21101716(1221315(812)25(30)31)918(26)2320(17)321119(27)22134614(7513)24(28)29h1816H911H2(H2227)(H2326)
MFCD10088053
N#CC1=C(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))NC(=O)CC1c1cccc(c1)(N+)(=O)(O)
ZINC000012276782
ZINC000012276786

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Available files

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