Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754869
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1cccc(c1C)Cl
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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 C23H22ClN3OS MW 423.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3OS/c1-13-15(24)6-4-7-16(13)27-17-10-23(2,3)11-18(28)21(17)20(14(12-25)22(27)26)19-8-5-9-29-19/h4-9,20H,10-11,26H2,1-3H3InChIKey
KQXBYFZBVNXTQD-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLORO2METHYLPHENYL)77DIMETHYL5OXO4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=CS4)C(=O)CC(C3)(C)C
InChI=1SC23H22ClN3OSc11315(24)64716(13)27171023(23)1118(28)21(17)20(14(1225)22(27)26)198592919h4920H101126H213H3
MFCD00826831
ZINC000000713595
ZINC000000713596
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