Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK014896
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-10-16(19(22)23-2)17(18-12(20-10)4-3-5-13(18)21)11-6-7-14-15(8-11)25-9-24-14/h6-8,17,20H,3-5,9H2,1-2H3InChIKey
GEDBZJDRNZKIPJ-UHFFFAOYSA-NSynonyms
139758-86-4139758864
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
InChI=1SC19H19NO5c11016(19(22)232)17(1812(2010)43513(18)21)11671415(811)2592414h681720H359H212H3
methyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
METHYLMMDPOHQC
MFCD00619473
STK014896
ZINC000100102084
ZINC000100102087
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