Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084042
SMILES COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
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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 C23H26ClNO6 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClNO6/c1-12-19(23(28)31-11-14-5-4-8-30-14)20(21-16(25-12)6-3-7-17(21)26)13-9-15(24)22(27)18(10-13)29-2/h9-10,14,20,25,27H,3-8,11H2,1-2H3InChIKey
KEQIRXZPJAGGIQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCC4CCCO4
COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
InChI=1SC23H26ClNO6c11219(23(28)3111145483014)20(2116(2512)63717(21)26)13915(24)22(27)18(1013)292h91014202527H3811H212H3
MFCD01824411
oxolan2ylmethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK084042
tetrahydrofuran2ylmethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000861432
ZINC000000861435
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