Vitas-M small molecule compound
1-[9-hydroxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(propan-2-yl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL546719
SMILES COc1cc(ccc1OCC(=C)C)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)C(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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-16(2)15-36-24-11-10-19(12-25(24)35-6)26-20-13-31(17(3)4)23-9-7-8-21(27(20)23)30-22-14-32(18(5)33)29(34)28(22)26/h7-13,17,26,34H,1,14-15H2,2-6H3InChIKey
OTXWOWROHCAINN-UHFFFAOYSA-NSynonyms
1(9hydroxy10(3methoxy4((2methylprop2en1yl)oxy)phenyl)2(propan2yl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC29H31N3O4c116(2)153624111019(1225(24)356)26201331(17(3)4)2397821(27(20)23)30221432(18(5)33)29(34)28(22)26h713172634H11415H226H3
MFCD31756445
ZINC000409414134
ZINC000409414136
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