Vitas-M small molecule compound

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

Catalog ID
STK549739
SMILES CCCCCn1c(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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-3-4-7-12-30-16(2)27-24-22(26(30)32)23-25(29-19-9-6-5-8-18(19)28-23)31(24)14-17-10-11-20-21(13-17)34-15-33-20/h5-6,8-11,13H,3-4,7,12,14-15H2,1-2H3
InChIKey
YWXZBOFJBLURTP-UHFFFAOYSA-N
Synonyms
380583-52-8
11(13benzodioxol5ylmethyl)2methyl3pentyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)2methyl3pentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
380583528
CCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C
InChI=1SC26H25N5O3c1347123016(2)272422(26(30)32)2325(2919965818(19)2823)31(24)141710112021(1317)34153320h5681113H347121415H212H3
MFCD02990239
ZINC000009462182
ZINC09462182
ZINC9462182

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Available files

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