Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3,4-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174431
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)Cl)C2=C(C1c1ccc(s1)C(C)(C)C)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 C30H27Cl2N3OS MW 548.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27Cl2N3OS/c1-30(2,3)26-12-11-25(37-26)27-20(16-33)29(34)35(19-9-10-21(31)22(32)15-19)23-13-18(14-24(36)28(23)27)17-7-5-4-6-8-17/h4-12,15,18,27H,13-14,34H2,1-3H3InChIKey
VCBUFNCUSVWXSG-UHFFFAOYSA-NSynonyms
444923-24-42amino4(5tertbutylthiophen2yl)1(34dichlorophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(34dichlorophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444923244
CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)N)C#N
InChI=1SC30H27Cl2N3OSc130(23)26121125(3726)2720(1633)29(34)35(1991021(31)22(32)1519)231318(1424(36)28(23)27)177546817h412151827H131434H213H3
MFCD02605964
ZINC000002597426
ZINC000002759774
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