Vitas-M small molecule compound
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000574
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-11-18(21(25)27-4)19(20-14(22-11)6-5-7-15(20)24)13-8-9-16(28-12(2)23)17(10-13)26-3/h8-10,19,22H,5-7H2,1-4H3InChIKey
LEAADVQIRHZSHS-UHFFFAOYSA-NSynonyms
303136-94-9303136949
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CCC2
InChI=1SC21H23NO6c11118(21(25)274)19(2014(2211)65715(20)24)138916(2812(2)23)17(1013)263h8101922H57H214H3
methyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4acetyloxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01122126
STK000574
ZINC000019798163
ZINC000019798165
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