Vitas-M small molecule compound
11-(3,5-dimethylphenyl)-2-ethyl-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK601179
SMILES CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1cc(C)cc(c1)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 C27H29N5O MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O/c1-5-7-10-13-31-22(6-2)30-25-23(27(31)33)24-26(29-21-12-9-8-11-20(21)28-24)32(25)19-15-17(3)14-18(4)16-19/h8-9,11-12,14-16H,5-7,10,13H2,1-4H3InChIKey
FOQNVNDZQGGPIW-UHFFFAOYSA-NSynonyms
11(35dimethylphenyl)2ethyl3pentyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(35dimethylphenyl)2ethyl3pentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=CC(=C5)C)C)CC
InChI=1SC27H29N5Oc15710133122(62)302523(27(31)33)2426(292112981120(21)2824)32(25)191517(3)1418(4)1619h8911121416H571013H214H3
MFCD02992380
ZINC000002288104
ZINC02288104
ZINC2288104
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