Vitas-M small molecule compound
methyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055445
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-12-19(22(26)27-2)20(13-5-3-6-15(24)9-13)21-16(23-12)10-14(11-17(21)25)18-7-4-8-28-18/h3-9,14,20,23-24H,10-11H2,1-2H3InChIKey
GBTNKDATEZWSON-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1cccs1
InChI=1SC22H21NO4Sc11219(22(26)272)20(1353615(24)913)2116(2312)1014(1117(21)25)187482818h3914202324H1011H212H3
methyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188604
STK055445
ZINC000019811009
ZINC000100101703
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