Vitas-M small molecule compound
2-amino-1-(3,5-dimethylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783514
SMILES N#CC1=C(N)N(c2cc(C)cc(c2)C)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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-12-8-13(2)10-14(9-12)25-16-4-3-5-17(27)21(16)20(15(11-23)22(25)24)18-6-7-19(30-18)26(28)29/h6-10,20H,3-5,24H2,1-2H3InChIKey
FAILEQDXGCKTOP-UHFFFAOYSA-NSynonyms
2amino1(35dimethylphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(35dimethylphenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC(=CC(=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3)C
InChI=1SC22H20N4O3Sc112813(2)1014(912)251643517(27)21(16)20(15(1123)22(25)24)186719(3018)26(28)29h61020H3524H212H3
MFCD06618342
N#CC1=C(N)N(c2cc(C)cc(c2)C)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2
ZINC000012445717
ZINC000012445720
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