Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3-(4-chlorobenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990412
SMILES Clc1ccc(cc1)Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(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 C27H18ClN5O3 MW 495.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN5O3/c1-15-29-25-23(27(34)32(15)13-16-6-8-17(28)9-7-16)24-26(31-20-5-3-2-4-19(20)30-24)33(25)18-10-11-21-22(12-18)36-14-35-21/h2-12H,13-14H2,1H3InChIKey
PDHQLSCCBXPINM-UHFFFAOYSA-NSynonyms
836638-41-611(13benzodioxol5yl)3(4chlorobenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5yl)3(4chlorobenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836638416
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)OCO6)C(=O)N1CC7=CC=C(C=C7)Cl
InChI=1SC27H18ClN5O3c115292523(27(34)32(15)13166817(28)9716)2426(3120532419(20)3024)33(25)1810112122(1218)36143521h212H1314H21H3
MFCD03690113
ZINC000002251104
ZINC02251104
ZINC2251104
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