Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-11-(4-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714256
SMILES COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)Cc1ccc2c(c1)OCO2
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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 C29H23N5O4 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4/c1-17-30-27-25(29(35)33(17)15-19-9-12-23-24(13-19)38-16-37-23)26-28(32-22-6-4-3-5-21(22)31-26)34(27)14-18-7-10-20(36-2)11-8-18/h3-13H,14-16H2,1-2H3InChIKey
RUCGNEHCXVMBRR-UHFFFAOYSA-NSynonyms
381707-69-33(13benzodioxol5ylmethyl)11(4methoxybenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(4methoxybenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
381707693
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC)C(=O)N1CC6=CC7=C(C=C6)OCO7
InChI=1SC29H23N5O4c117302725(29(35)33(17)15199122324(1319)38163723)2628(3222643521(22)3126)34(27)141871020(362)11818h313H1416H212H3
MFCD02998503
ZINC000008742658
ZINC08742658
ZINC8742658
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