Vitas-M small molecule compound

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

Catalog ID
STK714335
SMILES CCC(n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2)C

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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 C24H21N5O3 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O3/c1-3-14(2)29-12-25-22-20(24(29)30)21-23(27-17-7-5-4-6-16(17)26-21)28(22)11-15-8-9-18-19(10-15)32-13-31-18/h4-10,12,14H,3,11,13H2,1-2H3
InChIKey
QXTXPYIICNLTBY-UHFFFAOYSA-N
Synonyms
848682-49-5
11(13benzodioxol5ylmethyl)3(butan2yl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)3(secbutyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
848682495
CCC(C)N1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6
InChI=1SC24H21N5O3c1314(2)2912252220(24(29)30)2123(2717754616(17)2621)28(22)1115891819(1015)32133118h4101214H31113H212H3
MFCD04191433
ZINC000002427264
ZINC000002427265

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Available files

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