Vitas-M small molecule compound
3-[2-(4-methoxyphenyl)ethyl]-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK638036
SMILES COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1
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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 C26H20N6O2S MW 480.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O2S/c1-34-18-10-8-17(9-11-18)12-13-31-16-27-24-22(26(31)33)23-25(30-21-7-3-2-6-20(21)29-23)32(24)28-15-19-5-4-14-35-19/h2-11,14-16H,12-13H2,1H3/b28-15+InChIKey
DMSAEFAJCSTWQZ-RWPZCVJISA-NSynonyms
877777-11-2(E)3(4methoxyphenethyl)11((thiophen2ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)11(((E)thiophen2ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
877777112
COC1=CC=C(C=C1)CCN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CC=CS6
COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccs1
InChI=1SC26H20N6O2Sc1341810817(91118)12133116272422(26(31)33)2325(3021732620(21)2923)32(24)28151954143519h2111416H1213H21H3b2815+
MFCD05699616
ZINC000009344789
ZINC33935285
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