Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-3-hexyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL338321
SMILES CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-4-5-8-13-31-17(2)28-25-23(27(31)33)24-26(30-20-10-7-6-9-19(20)29-24)32(25)15-18-11-12-21-22(14-18)35-16-34-21/h6-7,9-12,14H,3-5,8,13,15-16H2,1-2H3InChIKey
GWEHJIKEJYBUST-UHFFFAOYSA-NSynonyms
378763-02-111(13benzodioxol5ylmethyl)3hexyl2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)3hexyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
378763021
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C
InChI=1SC27H27N5O3c13458133117(2)282523(27(31)33)2426(30201076919(20)2924)32(25)151811122122(1418)35163421h6791214H358131516H212H3
MFCD02986452
ZINC000013712779
ZINC13712779
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