Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755039
SMILES N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1ccc(s1)C(C)(C)C)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 C27H31N3OS MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3OS/c1-16-8-7-9-17(12-16)30-19-13-27(5,6)14-20(31)24(19)23(18(15-28)25(30)29)21-10-11-22(32-21)26(2,3)4/h7-12,23H,13-14,29H2,1-6H3InChIKey
QDNQHQDBNQKKQO-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)77dimethyl1(3methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)77DIMETHYL1(3METHYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)CC(C3)(C)C
InChI=1SC27H31N3OSc11687917(1216)30191327(56)1420(31)24(19)23(18(1528)25(30)29)21101122(3221)26(23)4h71223H131429H216H3
MFCD00827205
ZINC000003663103
ZINC000003663104
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