Vitas-M small molecule compound

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

Catalog ID
STK990454
SMILES CCCCCCCn1c(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-4-5-6-9-14-31-17(2)28-25-23(27(31)33)24-26(30-20-11-8-7-10-19(20)29-24)32(25)18-12-13-21-22(15-18)35-16-34-21/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
InChIKey
VLEDAPKIECSYLD-UHFFFAOYSA-N
Synonyms
844650-33-5
11(13benzodioxol5yl)3heptyl2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5yl)3heptyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
844650335
CCCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)OCO6)C
InChI=1SC27H27N5O3c134569143117(2)282523(27(31)33)2426(302011871019(20)2924)32(25)1812132122(1518)35163421h78101315H3691416H212H3
MFCD04158441
ZINC000097954108
ZINC97954108

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Available files

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