Vitas-M small molecule compound

1-[9-hydroxy-2-(3-methylbutyl)-10-(quinolin-6-yl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone

Catalog ID
STL551413
SMILES CC(CCn1cc2c3c1cccc3N=C1C(=C(O)N(C1)C(=O)C)C2c1ccc2c(c1)cccn2)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 C29H28N4O2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2/c1-17(2)11-13-32-15-21-26(20-9-10-22-19(14-20)6-5-12-30-22)28-24(16-33(18(3)34)29(28)35)31-23-7-4-8-25(32)27(21)23/h4-10,12,14-15,17,26,35H,11,13,16H2,1-3H3
InChIKey
HIQQQNCLCIHJEP-UHFFFAOYSA-N
Synonyms

1(9hydroxy2(3methylbutyl)10(quinolin6yl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC29H28N4O2c117(2)111332152126(209102219(1420)65123022)2824(1633(18(3)34)29(28)35)312374825(32)27(21)23h410121415172635H111316H213H3
MFCD31758127
ZINC000888090174
ZINC000888090175

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.