Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174863
SMILES N#CC1=C(N)N(c2cc(Cl)cc(c2)Cl)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1
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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 C29H21Cl2N3O3 MW 530.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N3O3/c30-19-11-20(31)13-21(12-19)34-23-8-18(16-4-2-1-3-5-16)9-24(35)28(23)27(22(14-32)29(34)33)17-6-7-25-26(10-17)37-15-36-25/h1-7,10-13,18,27H,8-9,15,33H2InChIKey
JBOTVFCQCIBSSI-UHFFFAOYSA-NSynonyms
444930-86-32amino4(13benzodioxol5yl)1(35dichlorophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(35dichlorophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444930863
C1C(CC(=O)C2=C1N(C(=C(C2C3=CC4=C(C=C3)OCO4)C#N)N)C5=CC(=CC(=C5)Cl)Cl)C6=CC=CC=C6
InChI=1SC29H21Cl2N3O3c30191120(31)1321(1219)3423818(164213516)924(35)28(23)27(22(1432)29(34)33)17672526(1017)37153625h1710131827H891533H2
MFCD03071106
ZINC000000667811
ZINC000000667817
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