Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755189
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)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 C21H18ClN3OS MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3OS/c1-12-15(22)4-2-5-16(12)25-17-6-3-7-18(26)20(17)19(13-8-9-27-11-13)14(10-23)21(25)24/h2,4-5,8-9,11,19H,3,6-7,24H2,1H3InChIKey
UWNJDUIFNBUBBK-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CCC3
InChI=1SC21H18ClN3OSc11215(22)42516(12)251763718(26)20(17)19(1389271113)14(1023)21(25)24h245891119H36724H21H3
MFCD00827460
ZINC000001031669
ZINC000001031670
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