Vitas-M small molecule compound
N-(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL539785
SMILES COc1cc(cc2c1OCCO2)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC1C(=N2)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 C22H21N3O6 MW 423.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6/c1-29-17-9-12(10-18-19(17)31-8-7-30-18)20(26)23-13-4-5-15-14(11-13)22(28)25-6-2-3-16(25)21(27)24-15/h4-5,9-11,16H,2-3,6-8H2,1H3,(H,23,26)(H,24,27)InChIKey
PUFXBRBUNLMIIP-UHFFFAOYSA-NSynonyms
1435898-43-3~(N)(611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)5methoxy23dihydro14benzodioxine7carboxamide
1435898433
71755231
InChI=1SC22H21N3O6c12917912(101819(17)31873018)20(26)2313451514(1113)22(28)2562316(25)21(27)2415h4591116H2368H21H3(H2326)(H2427)
MFCD31754935
N(11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)8methoxy23dihydro14benzodioxine6carboxamide
ZINC000085879484
ZINC000085879490
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