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-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Catalog ID
STL539496
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)COc1ccc2c(c1)oc(=O)cc2C
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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 C24H21N3O6 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6/c1-13-9-22(29)33-20-11-15(5-6-16(13)20)32-12-21(28)25-14-4-7-18-17(10-14)24(31)27-8-2-3-19(27)23(30)26-18/h4-7,9-11,19H,2-3,8,12H2,1H3,(H,25,28)(H,26,30)/t19-/m0/s1InChIKey
BKPQSPSXXZZMBL-IBGZPJMESA-NSynonyms
1574477-22-7~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)2(4methyl2oxochromen7yl)oxyacetamide
1574477227
71827282
InChI=1SC24H21N3O6c113922(29)33201115(5616(13)20)321221(28)2514471817(1014)24(31)2782319(27)23(30)2618h4791119H23812H21H3(H2528)(H2630)t19m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)2((4methyl2oxo2Hchromen7yl)oxy)acetamide
ZINC000096113906
ZINC96113906
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