Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755539
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccc(cc1)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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-29-16-8-6-15(7-9-16)27-18-3-2-4-19(28)23(18)22(17(12-25)24(27)26)14-5-10-20-21(11-14)31-13-30-20/h5-11,22H,2-4,13,26H2,1H3InChIKey
LXWAFRZGRPUZHS-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(4methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3
InChI=1SC24H21N3O4c129168615(7916)271832419(28)23(18)22(17(1225)24(27)26)145102021(1114)31133020h51122H241326H21H3
MFCD00828372
ZINC000000705515
ZINC000000705516
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