Vitas-M small molecule compound
1-(3-chlorophenyl)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Catalog ID
STL435306
SMILES COc1c(cc2c(c1OC)OCO2)C1CC(=O)Nc2c1n(cc2C(=O)O)c1cccc(c1)Cl
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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 C23H19ClN2O7 MW 470.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O7/c1-30-20-14(7-16-21(22(20)31-2)33-10-32-16)13-8-17(27)25-18-15(23(28)29)9-26(19(13)18)12-5-3-4-11(24)6-12/h3-7,9,13H,8,10H2,1-2H3,(H,25,27)(H,28,29)InChIKey
DJQZOOLIRMSAMO-UHFFFAOYSA-NSynonyms
1(3chlorophenyl)7(67dimethoxy13benzodioxol5yl)5oxo4567tetrahydro1Hpyrrolo(32b)pyridine3carboxylicacid
1(3chlorophenyl)7(67dimethoxy13benzodioxol5yl)5oxo67dihydro4Hpyrrolo(32b)pyridine3carboxylicacid
COC1=C(C2=C(C=C1C3CC(=O)NC4=C3N(C=C4C(=O)O)C5=CC(=CC=C5)Cl)OCO2)OC
InChI=1SC23H19ClN2O7c1302014(71621(22(20)312)33103216)13817(27)251815(23(28)29)926(19(13)18)1253411(24)612h37913H810H212H3(H2527)(H2829)
MFCD25975188
ZINC000066087451
ZINC000066087453
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