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]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Catalog ID
STL539744
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCCCCn1nnc2c(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 C25H26N6O4 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O4/c32-22(10-2-1-5-14-31-25(35)17-7-3-4-8-20(17)28-29-31)26-16-11-12-19-18(15-16)24(34)30-13-6-9-21(30)23(33)27-19/h3-4,7-8,11-12,15,21H,1-2,5-6,9-10,13-14H2,(H,26,32)(H,27,33)/t21-/m0/s1InChIKey
XJNHCXPFCUQEBU-NRFANRHFSA-NSynonyms
1574408-99-3~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)6(4oxo123benzotriazin3yl)hexanamide
1574408993
71826773
InChI=1SC25H26N6O4c3222(10215143125(35)17734820(17)282931)261611121918(1516)24(34)30136921(30)23(33)2719h347811121521H12569101314H2(H2632)(H2733)t21m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)6(4oxo123benzotriazin3(4H)yl)hexanamide
ZINC000096114666
ZINC96114666
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