Vitas-M small molecule compound

11-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STL239770
SMILES Cc1nc2c(c(=O)n1CCc1ccccc1)c1c(n2Cc2ccc3c(c2)OCO3)nc2c(n1)cccc2

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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 C29H23N5O3 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3/c1-18-30-27-25(29(35)33(18)14-13-19-7-3-2-4-8-19)26-28(32-22-10-6-5-9-21(22)31-26)34(27)16-20-11-12-23-24(15-20)37-17-36-23/h2-12,15H,13-14,16-17H2,1H3
InChIKey
KXOYRROVOQAANS-UHFFFAOYSA-N
Synonyms
381716-02-5
11(13benzodioxol5ylmethyl)2methyl3(2phenylethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)2methyl3phenethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
381716025
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C(=O)N1CCC7=CC=CC=C7
InChI=1SC29H23N5O3c118302725(29(35)33(18)1413197324819)2628(32221065921(22)3126)34(27)162011122324(1520)37173623h21215H13141617H21H3
MFCD02998727
ZINC000002215308
ZINC02215308
ZINC2215308

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Available files

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