Vitas-M small molecule compound
1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781176
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)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 C25H20N4O3S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S/c1-16-9-10-18(20(14-16)29(31)32)28-19-6-4-7-21(30)24(19)23(22-8-5-13-33-22)17(15-26)25(28)27-11-2-3-12-27/h2-3,5,8-14,23H,4,6-7H2,1H3InChIKey
ZKKXABFLNZRQHU-UHFFFAOYSA-NSynonyms
1(4methyl2nitrophenyl)5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile
1(4methyl2nitrophenyl)5oxo2pyrrol1yl4thiophen2yl4678tetrahydroquinoline3carbonitrile
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC=CS5)C(=O)CCC3)(N+)(=O)(O)
InChI=1SC25H20N4O3Sc11691018(20(1416)29(31)32)281964721(30)24(19)23(2285133322)17(1526)25(28)2711231227h23581423H467H21H3
MFCD06014443
N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447364
ZINC000012447366
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