Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754590
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(s1)C(C)(C)C)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-24(2,3)20-11-10-19(32-20)21-16(13-25)23(26)27(17-8-5-9-18(29)22(17)21)14-6-4-7-15(12-14)28(30)31/h4,6-7,10-12,21H,5,8-9,26H2,1-3H3InChIKey
CEIHRIALDZYHGY-UHFFFAOYSA-NSynonyms
311320-34-02amino4(5tertbutylthiophen2yl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311320340
CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N
InChI=1SC24H24N4O3Sc124(23)20111019(3220)2116(1325)23(26)27(1785918(29)22(17)21)1464715(1214)28(30)31h467101221H58926H213H3
MFCD00826165
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2
ZINC000001057124
ZINC000001057126
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