Vitas-M small molecule compound

3-[8-acetyl-9-hydroxy-2-(2-methylpropyl)-2,7,8,10-tetrahydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-10-yl]-1-methylquinolin-2(1H)-one

Catalog ID
STL549461
SMILES CC(Cn1cc2c3c1cccc3N=C1C(=C(O)N(C1)C(=O)C)C2c1cc2ccccc2n(c1=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 C29H28N4O3 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3/c1-16(2)13-32-14-20-25(19-12-18-8-5-6-10-23(18)31(4)28(19)35)27-22(15-33(17(3)34)29(27)36)30-21-9-7-11-24(32)26(20)21/h5-12,14,16,25,36H,13,15H2,1-4H3
InChIKey
VVSKXQSABFDEKG-UHFFFAOYSA-N
Synonyms

3(8acetyl9hydroxy2(2methylpropyl)27810tetrahydropyrrolo(3467)azepino(432cd)indol10yl)1methylquinolin2(1H)one
InChI=1SC29H28N4O3c116(2)1332142025(1912188561023(18)31(4)28(19)35)2722(1533(17(3)34)29(27)36)3021971124(32)26(20)21h51214162536H1315H214H3
MFCD31757003
ZINC000888090384
ZINC000888090385

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Available files

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