Vitas-M small molecule compound
1-[9-hydroxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL549537
SMILES COc1cc(cc2c1OCCO2)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)CC(C)C)C(=O)C
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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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-15(2)12-30-13-18-24(17-10-22(34-4)27-23(11-17)35-8-9-36-27)26-20(14-31(16(3)32)28(26)33)29-19-6-5-7-21(30)25(18)19/h5-7,10-11,13,15,24,33H,8-9,12,14H2,1-4H3InChIKey
BXTAXNAOEDMMJD-UHFFFAOYSA-NSynonyms
1(9hydroxy10(8methoxy23dihydro14benzodioxin6yl)2(2methylpropyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC28H29N3O5c115(2)1230131824(171022(344)2723(1117)35893627)2620(1431(16(3)32)28(26)33)291965721(30)25(18)19h57101113152433H891214H214H3
MFCD31757041
ZINC000888090111
ZINC000888090112
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