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]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Catalog ID
STL539543
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCn1nnc2c(c1=O)cccc2
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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 C22H20N6O4 MW 432.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O4/c29-19(9-11-28-22(32)14-4-1-2-5-17(14)25-26-28)23-13-7-8-16-15(12-13)21(31)27-10-3-6-18(27)20(30)24-16/h1-2,4-5,7-8,12,18H,3,6,9-11H2,(H,23,29)(H,24,30)/t18-/m0/s1InChIKey
YEXMHPKHBKMNEG-SFHVURJKSA-NSynonyms
1574399-23-7~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)3(4oxo123benzotriazin3yl)propanamide
1574399237
71825910
InChI=1SC22H20N6O4c2919(9112822(32)14412517(14)252628)2313781615(1213)21(31)27103618(27)20(30)2416h1245781218H36911H2(H2329)(H2430)t18m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)3(4oxo123benzotriazin3(4H)yl)propanamide
ZINC000096115964
ZINC96115964
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