Vitas-M small molecule compound
3-(butan-2-yl)-11-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK920417
SMILES COc1ccc(cc1)CCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(CC)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/c1-5-16(2)31-17(3)27-24-22(26(31)32)23-25(29-21-9-7-6-8-20(21)28-23)30(24)15-14-18-10-12-19(33-4)13-11-18/h6-13,16H,5,14-15H2,1-4H3InChIKey
PPBCZSWONMDXFS-UHFFFAOYSA-NSynonyms
842955-03-73(butan2yl)11(2(4methoxyphenyl)ethyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(4methoxyphenethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
842955037
CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CCC5=CC=C(C=C5)OC)C
InChI=1SC26H27N5O2c1516(2)3117(3)272422(26(31)32)2325(2921976820(21)2823)30(24)151418101219(334)131118h61316H51415H214H3
MFCD04161981
ZINC000002407007
ZINC000002407008
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