Vitas-M small molecule compound
N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Catalog ID
STL539814
SMILES O=C(Cn1nnc2c(c1=O)cccc2)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=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 C21H18N6O4 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O4/c28-18(11-27-21(31)13-4-1-2-5-16(13)24-25-27)22-12-7-8-15-14(10-12)20(30)26-9-3-6-17(26)19(29)23-15/h1-2,4-5,7-8,10,17H,3,6,9,11H2,(H,22,28)(H,23,29)/t17-/m0/s1InChIKey
MWPOWKSJLRDIMM-KRWDZBQOSA-NSynonyms
1574467-17-6~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)2(4oxo123benzotriazin3yl)acetamide
1574467176
71825722
InChI=1SC21H18N6O4c2818(112721(31)13412516(13)242527)2212781514(1012)20(30)2693617(26)19(29)2315h1245781017H36911H2(H2228)(H2329)t17m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)2(4oxo123benzotriazin3(4H)yl)acetamide
ZINC000096116251
ZINC96116251
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