Vitas-M small molecule compound
7-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Catalog ID
STK694761
SMILES O=C1CC(c2ccc3c(c2)OCO3)c2c(N1)c(cn2c1cccc(c1)Cl)C(=O)O
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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 C21H15ClN2O5 MW 410.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5/c22-12-2-1-3-13(7-12)24-9-15(21(26)27)19-20(24)14(8-18(25)23-19)11-4-5-16-17(6-11)29-10-28-16/h1-7,9,14H,8,10H2,(H,23,25)(H,26,27)InChIKey
RMSMNXCTABSEOB-UHFFFAOYSA-NSynonyms
7(13benzodioxol5yl)1(3chlorophenyl)5oxo4567tetrahydro1Hpyrrolo(32b)pyridine3carboxylicacid
7(13benzodioxol5yl)1(3chlorophenyl)5oxo67dihydro4Hpyrrolo(32b)pyridine3carboxylicacid
C1C(C2=C(C(=CN2C3=CC(=CC=C3)Cl)C(=O)O)NC1=O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H15ClN2O5c221221313(712)24915(21(26)27)1920(24)14(818(25)2319)11451617(611)29102816h17914H810H2(H2325)(H2627)
MFCD12034889
ZINC000035325528
ZINC000035325534
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