Vitas-M small molecule compound
2-hydroxy-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Catalog ID
STL542007
SMILES OC1=Nc2ccccc2C(=O)NC1CCC(=O)N1CCC2(C(C1)CCCC2)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 C21H27N3O4 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4/c25-18(24-12-11-21(28)10-4-3-5-14(21)13-24)9-8-17-20(27)22-16-7-2-1-6-15(16)19(26)23-17/h1-2,6-7,14,17,28H,3-5,8-13H2,(H,22,27)(H,23,26)InChIKey
MHLNCHHUKAWOHC-UHFFFAOYSA-NSynonyms
2hydroxy3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)34dihydro5H14benzodiazepin5one
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)34dihydro1~(H)14benzodiazepine25dione
75531763
InChI=1SC21H27N3O4c2518(24121121(28)1043514(21)1324)981720(27)2216721615(16)19(26)2317h1267141728H35813H2(H2227)(H2326)
MFCD31755490
ZINC000206233700
ZINC000253370114
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