Vitas-M small molecule compound
1-[9-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-methylbutyl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL546801
SMILES COc1cc(cc(c1O)OC)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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-15(2)9-10-30-13-18-24(17-11-22(35-4)27(33)23(12-17)36-5)26-20(14-31(16(3)32)28(26)34)29-19-7-6-8-21(30)25(18)19/h6-8,11-13,15,24,33-34H,9-10,14H2,1-5H3InChIKey
SIQDVXFIGZSKLY-UHFFFAOYSA-NSynonyms
1(9hydroxy10(4hydroxy35dimethoxyphenyl)2(3methylbutyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC28H31N3O5c115(2)91030131824(171122(354)27(33)23(1217)365)2620(1431(16(3)32)28(26)34)291976821(30)25(18)19h68111315243334H91014H215H3
MFCD31756458
ZINC000409415608
ZINC000409415609
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