Vitas-M small molecule compound
1-(3-chlorophenyl)-7-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Catalog ID
STL435308
SMILES COc1cc(cc2c1OCO2)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 C22H17ClN2O6 MW 440.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O6/c1-29-16-5-11(6-17-21(16)31-10-30-17)14-8-18(26)24-19-15(22(27)28)9-25(20(14)19)13-4-2-3-12(23)7-13/h2-7,9,14H,8,10H2,1H3,(H,24,26)(H,27,28)InChIKey
GYMAGDJXESLQSS-UHFFFAOYSA-NSynonyms
1(3chlorophenyl)7(7methoxy13benzodioxol5yl)5oxo4567tetrahydro1Hpyrrolo(32b)pyridine3carboxylicacid
1(3chlorophenyl)7(7methoxy13benzodioxol5yl)5oxo67dihydro4Hpyrrolo(32b)pyridine3carboxylicacid
COC1=CC(=CC2=C1OCO2)C3CC(=O)NC4=C3N(C=C4C(=O)O)C5=CC(=CC=C5)Cl
InChI=1SC22H17ClN2O6c12916511(61721(16)31103017)14818(26)241915(22(27)28)925(20(14)19)1342312(23)713h27914H810H21H3(H2426)(H2728)
MFCD25975190
ZINC000066087457
ZINC000066087459
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