Vitas-M small molecule compound
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK678945
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)Cl)C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C
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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 C27H27Cl2N3O4 MW 528.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2N3O4/c1-27(2)11-19-24(20(33)12-27)23(14-8-21(34-3)25(36-5)22(9-14)35-4)16(13-30)26(31)32(19)15-6-7-17(28)18(29)10-15/h6-10,23H,11-12,31H2,1-5H3InChIKey
NKOIXZRXQZVBCI-UHFFFAOYSA-NSynonyms
2amino1(34dichlorophenyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(34DICHLOROPHENYL)77DIMETHYL5OXO4(345TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=C(C=C3)Cl)Cl)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC27H27Cl2N3O4c127(2)111924(20(33)1227)23(14821(343)25(365)22(914)354)16(1330)26(31)32(19)156717(28)18(29)1015h61023H111231H215H3
MFCD03308087
ZINC000000707328
ZINC000000707329
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