Vitas-M small molecule compound
3-cyclohexyl-11-(4-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK534452
SMILES COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1
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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 C27H27N5O2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2/c1-17-28-25-23(27(33)32(17)19-8-4-3-5-9-19)24-26(30-22-11-7-6-10-21(22)29-24)31(25)16-18-12-14-20(34-2)15-13-18/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3InChIKey
TVVPVODKMDVQFC-UHFFFAOYSA-NSynonyms
3cyclohexyl11(4methoxybenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3cyclohexyl11(4methoxybenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC)C(=O)N1C6CCCCC6
InChI=1SC27H27N5O2c117282523(27(33)32(17)198435919)2426(302211761021(22)2924)31(25)1618121420(342)151318h67101519H358916H212H3
MFCD02997127
ZINC000002305886
ZINC02305886
ZINC2305886
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