Vitas-M small molecule compound

1-(4-methyl-2-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK781178
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])C

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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 C26H22N4O3S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S/c1-16-8-10-19(21(14-16)30(32)33)29-20-6-5-7-22(31)25(20)24(23-11-9-17(2)34-23)18(15-27)26(29)28-12-3-4-13-28/h3-4,8-14,24H,5-7H2,1-2H3
InChIKey
OICLTBOSDPDUKW-UHFFFAOYSA-N
Synonyms

1(4methyl2nitrophenyl)4(5methylthiophen2yl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(4methyl2nitrophenyl)4(5methylthiophen2yl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC=C(S5)C)C(=O)CCC3)(N+)(=O)(O)
InChI=1SC26H22N4O3Sc11681019(21(1416)30(32)33)292065722(31)25(20)24(2311917(2)3423)18(1527)26(29)2812341328h3481424H57H212H3
MFCD06014445
N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447345
ZINC000012447347

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Available files

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