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]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Catalog ID
STL539452
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCCn1nnc2c(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 C23H22N6O4 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O4/c30-20(8-4-12-29-23(33)15-5-1-2-6-18(15)26-27-29)24-14-9-10-17-16(13-14)22(32)28-11-3-7-19(28)21(31)25-17/h1-2,5-6,9-10,13,19H,3-4,7-8,11-12H2,(H,24,30)(H,25,31)/t19-/m0/s1InChIKey
IJTHYXWALQIEOJ-IBGZPJMESA-NSynonyms
1574493-83-6~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)4(4oxo123benzotriazin3yl)butanamide
1574493836
71826655
InChI=1SC23H22N6O4c3020(84122923(33)15512618(15)262729)24149101716(1314)22(32)28113719(28)21(31)2517h12569101319H34781112H2(H2430)(H2531)t19m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)4(4oxo123benzotriazin3(4H)yl)butanamide
ZINC000096114838
ZINC96114838
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