Vitas-M small molecule compound
1-[9-hydroxy-2-(2-methylpropyl)-10-[4-(methylsulfanyl)phenyl]-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL551430
SMILES CSc1ccc(cc1)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 C26H27N3O2S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S/c1-15(2)12-28-13-19-23(17-8-10-18(32-4)11-9-17)25-21(14-29(16(3)30)26(25)31)27-20-6-5-7-22(28)24(19)20/h5-11,13,15,23,31H,12,14H2,1-4H3InChIKey
SOJUAIPDKFNJFM-UHFFFAOYSA-NSynonyms
1(9hydroxy2(2methylpropyl)10(4(methylsulfanyl)phenyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC26H27N3O2Sc115(2)1228131923(1781018(324)11917)2521(1429(16(3)30)26(25)31)272065722(28)24(19)20h51113152331H1214H214H3
MFCD31758136
ZINC000888089287
ZINC000888089288
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