Vitas-M small molecule compound
methyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK043461
SMILES COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CCC2
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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 C21H18ClNO5 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5/c1-10-17(21(26)27-2)18(19-14(23-10)4-3-5-15(19)24)13-9-28-16-7-6-11(22)8-12(16)20(13)25/h6-9,18,23H,3-5H2,1-2H3InChIKey
JTZKILTYPNEPCS-UHFFFAOYSA-NSynonyms
347352-24-3347352243
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CCC2
InChI=1SC21H18ClNO5c11017(21(26)272)18(1914(2310)43515(19)24)13928167611(22)812(16)20(13)25h691823H35H212H3
methyl4(6chloro4oxo4Hchromen3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(6chloro4oxochromen3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02375887
STK043461
ZINC000019720114
ZINC000019720115
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