Vitas-M small molecule compound
methyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084429
SMILES COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C21H19NO5 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5/c1-11-17(21(25)26-2)18(19-14(22-11)7-5-8-15(19)23)13-10-27-16-9-4-3-6-12(16)20(13)24/h3-4,6,9-10,18,22H,5,7-8H2,1-2H3InChIKey
IGAOYYLTQWQZOH-UHFFFAOYSA-NSynonyms
5865-38-35865383
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2
InChI=1SC21H19NO5c11117(21(25)262)18(1914(2211)75815(19)23)13102716943612(16)20(13)24h3469101822H578H212H3
methyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
MFCD01824482
STK084429
ZINC000000861553
ZINC000100576057
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