Vitas-M small molecule compound
2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK870621
SMILES N#CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)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 C20H19N3OS MW 349.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3OS/c1-20(2)10-15-18(16(24)11-20)17(13-6-4-3-5-7-13)14(12-22)19(23-15)25-9-8-21/h3-7,17,23H,9-11H2,1-2H3InChIKey
JVWRANRITSNERI-UHFFFAOYSA-NSynonyms
303965-62-02((cyanomethyl)sulfanyl)77dimethyl5oxo4phenyl145678hexahydroquinoline3carbonitrile
2((cyanomethyl)thio)77dimethyl5oxo4phenyl145678hexahydroquinoline3carbonitrile
2(cyanomethylsulfanyl)77dimethyl5oxo4phenyl1468tetrahydroquinoline3carbonitrile
303965620
CC1(CC2=C(C(C(=C(N2)SCC#N)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI=1SC20H19N3OSc120(2)101518(16(24)1120)17(136435713)14(1222)19(2315)259821h371723H911H212H3
MFCD00583113
ZINC000004730799
ZINC000004730800
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