Vitas-M small molecule compound
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784539
SMILES N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2
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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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c21-11-13-18(16-9-10-17(28-16)24(26)27)19-14(7-4-8-15(19)25)23(20(13)22)12-5-2-1-3-6-12/h1-3,5-6,9-10,18H,4,7-8,22H2InChIKey
LOTXNGLBUIXLOC-UHFFFAOYSA-NSynonyms
2amino4(5nitrothiophen2yl)5oxo1phenyl145678hexahydroquinoline3carbonitrile
2amino4(5nitrothiophen2yl)5oxo1phenyl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC20H16N4O3Sc21111318(1691017(2816)24(26)27)1914(74815(19)25)23(20(13)22)125213612h135691018H47822H2
MFCD07022530
N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2
ZINC000004709078
ZINC000004709081
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