Vitas-M small molecule compound
2-methyl-4-oxo-3-{2-[(pyridin-4-ylcarbonyl)amino]ethyl}-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL567770
SMILES O=C(c1ccncc1)NCCN1C(=O)C(C(=O)N)C2CC1(C)Oc1c2cccc1
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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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-21-12-15(14-4-2-3-5-16(14)29-21)17(18(22)26)20(28)25(21)11-10-24-19(27)13-6-8-23-9-7-13/h2-9,15,17H,10-12H2,1H3,(H2,22,26)(H,24,27)InChIKey
AQBVNDFPIXVDGI-UHFFFAOYSA-NSynonyms
127254855
2methyl4oxo3(2((pyridin4ylcarbonyl)amino)ethyl)3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(2(isonicotinamido)ethyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
9methyl11oxo10(2(pyridine4carbonylamino)ethyl)8oxa10azatricyclo(731027)trideca246triene12carboxamide
InChI=1SC21H22N4O4c1211215(14423516(14)2921)17(18(22)26)20(28)25(21)11102419(27)1368239713h291517H1012H21H3(H22226)(H2427)
MFCD32652952
ZINC000604418975
ZINC000604418976
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