Vitas-M small molecule compound
11-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(2-methylpropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL225866
SMILES COc1ccc(cc1)CCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CC(C)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 C26H27N5O2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2/c1-16(2)15-31-17(3)27-24-22(26(31)32)23-25(29-21-8-6-5-7-20(21)28-23)30(24)14-13-18-9-11-19(33-4)12-10-18/h5-12,16H,13-15H2,1-4H3InChIKey
IZSJEDCOSOFCRD-UHFFFAOYSA-NSynonyms
836641-63-511(2(4methoxyphenyl)ethyl)2methyl3(2methylpropyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3isobutyl11(4methoxyphenethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836641635
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC=C(C=C5)OC)C(=O)N1CC(C)C
InChI=1SC26H27N5O2c116(2)153117(3)272422(26(31)32)2325(2921865720(21)2823)30(24)14131891119(334)121018h51216H1315H214H3
MFCD03690789
ZINC000002251860
ZINC02251860
ZINC2251860
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