Vitas-M small molecule compound
3-hexyl-11-(4-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL239576
SMILES CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(cc1)OC
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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 C27H29N5O2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2/c1-4-5-6-9-16-31-18(2)28-25-23(27(31)33)24-26(30-22-11-8-7-10-21(22)29-24)32(25)17-19-12-14-20(34-3)15-13-19/h7-8,10-15H,4-6,9,16-17H2,1-3H3InChIKey
MTBFGCFACNCTJO-UHFFFAOYSA-NSynonyms
3hexyl11(4methoxybenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3hexyl11(4methoxybenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC)C
InChI=1SC27H29N5O2c14569163118(2)282523(27(31)33)2426(302211871021(22)2924)32(25)1719121420(343)151319h781015H4691617H213H3
MFCD02993820
ZINC000002301358
ZINC02301358
ZINC2301358
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