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-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Catalog ID
STL539463
SMILES O=C(Cn1nc2CCCCCc2cc1=O)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 C23H25N5O4 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4/c29-20(13-28-21(30)11-14-5-2-1-3-6-17(14)26-28)24-15-8-9-18-16(12-15)23(32)27-10-4-7-19(27)22(31)25-18/h8-9,11-12,19H,1-7,10,13H2,(H,24,29)(H,25,31)/t19-/m0/s1InChIKey
DVWMZKISDTZQKV-IBGZPJMESA-NSynonyms
1574320-30-1~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)2(3oxo6789tetrahydro5~(H)cyclohepta(c)pyridazin2yl)acetamide
1574320301
71825888
InChI=1SC23H25N5O4c2920(132821(30)11145213617(14)2628)2415891816(1215)23(32)27104719(27)22(31)2518h89111219H171013H2(H2429)(H2531)t19m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
ZINC000096115997
ZINC96115997
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