Vitas-M small molecule compound
1-[9-hydroxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL549606
SMILES COc1cc(cc2c1OCCO2)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)CCC(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 C29H31N3O5 MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5/c1-16(2)8-9-31-14-19-25(18-12-23(35-4)28-24(13-18)36-10-11-37-28)27-21(15-32(17(3)33)29(27)34)30-20-6-5-7-22(31)26(19)20/h5-7,12-14,16,25,34H,8-11,15H2,1-4H3InChIKey
UESKBKVHQULXBJ-UHFFFAOYSA-NSynonyms
1(9hydroxy10(8methoxy23dihydro14benzodioxin6yl)2(3methylbutyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC29H31N3O5c116(2)8931141925(181223(354)2824(1318)3610113728)2721(1532(17(3)33)29(27)34)302065722(31)26(19)20h571214162534H81115H214H3
MFCD31757089
ZINC000888089296
ZINC000888089297
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