Vitas-M small molecule compound
ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091119
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)c1cccs1
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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 C22H23NO3S2 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3S2/c1-4-26-22(25)19-13(3)23-15-10-14(17-6-5-9-27-17)11-16(24)20(15)21(19)18-8-7-12(2)28-18/h5-9,14,21,23H,4,10-11H2,1-3H3InChIKey
QXTJFNRAFHZODL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(S3)C)C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl4(5methylthiophen2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl4(5methylthiophen2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H23NO3S2c142622(25)1913(3)23151014(176592717)1116(24)20(15)21(19)188712(2)2818h59142123H41011H213H3
MFCD02627245
STK091119
ZINC000019847867
ZINC000019847873
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