Vitas-M small molecule compound
2-amino-1-(2,4-dimethoxyphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784891
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1OC)OC
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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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-30-12-6-7-14(17(10-12)31-2)25-15-4-3-5-16(27)21(15)20(13(11-23)22(25)24)18-8-9-19(32-18)26(28)29/h6-10,20H,3-5,24H2,1-2H3InChIKey
QSNGOVBYLGRXQQ-UHFFFAOYSA-NSynonyms
2amino1(24dimethoxyphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(24dimethoxyphenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3)OC
InChI=1SC22H20N4O5Sc130126714(17(1012)312)251543516(27)21(15)20(13(1123)22(25)24)188919(3218)26(28)29h61020H3524H212H3
MFCD07657270
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1OC)OC
ZINC000012420034
ZINC000012420037
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