Vitas-M small molecule compound
2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753965
SMILES N#CC1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1ccc(c(c1)OC)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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-32-20-11-6-14(12-21(20)33-2)22-17(13-25)24(26)27(18-4-3-5-19(29)23(18)22)15-7-9-16(10-8-15)28(30)31/h6-12,22H,3-5,26H2,1-2H3InChIKey
FVELFFXYSWZIEF-UHFFFAOYSA-NSynonyms
311331-82-52amino4(34dimethoxyphenyl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(34dimethoxyphenyl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311331825
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)(N+)(=O)(O))N)C#N)OC
InChI=1SC24H22N4O5c1322011614(1221(20)332)2217(1325)24(26)27(1843519(29)23(18)22)157916(10815)28(30)31h61222H3526H212H3
MFCD00816110
N#CC1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2
ZINC000008442712
ZINC000008442714
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