Vitas-M small molecule compound
1-{9-hydroxy-10-[4-(2-methylpropoxy)phenyl]-2-(propan-2-yl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl}ethanone
Catalog ID
STL546240
SMILES CC(COc1ccc(cc1)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)C(C)C)C(=O)C)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 C28H31N3O3 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3/c1-16(2)15-34-20-11-9-19(10-12-20)25-21-13-30(17(3)4)24-8-6-7-22(26(21)24)29-23-14-31(18(5)32)28(33)27(23)25/h6-13,16-17,25,33H,14-15H2,1-5H3InChIKey
BKGOGCBVDVQJBI-UHFFFAOYSA-NSynonyms
1(9hydroxy10(4(2methylpropoxy)phenyl)2(propan2yl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC28H31N3O3c116(2)15342011919(101220)25211330(17(3)4)2486722(26(21)24)29231431(18(5)32)28(33)27(23)25h61316172533H1415H215H3
MFCD31756371
ZINC000409413362
ZINC000409413363
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