Vitas-M small molecule compound

2-amino-1-(dimethylamino)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK773192
SMILES N#CC1=C(N)N(N(C)C)C2=C(C1c1cc(OC)c(cc1OC)OC)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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c1-24(2)25-14-7-6-8-15(26)20(14)19(13(11-22)21(25)23)12-9-17(28-4)18(29-5)10-16(12)27-3/h9-10,19H,6-8,23H2,1-5H3
InChIKey
CAXBYNNQHPTBOT-UHFFFAOYSA-N
Synonyms

2amino1(dimethylamino)5oxo4(245trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2amino1(dimethylamino)5oxo4(245trimethoxyphenyl)4678tetrahydroquinoline3carbonitrile
CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)CCC2
InChI=1SC21H26N4O4c124(2)251476815(26)20(14)19(13(1122)21(25)23)12917(284)18(295)1016(12)273h91019H6823H215H3
MFCD03821384
ZINC000001080079
ZINC000001080080

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Available files

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