Vitas-M small molecule compound
3-cyclohexyl-11-(3,5-dimethylphenyl)-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL235735
SMILES CCc1nc2c(c(=O)n1C1CCCCC1)c1c(n2c2cc(C)cc(c2)C)nc2c(n1)cccc2
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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 C28H29N5O MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O/c1-4-23-31-26-24(28(34)32(23)19-10-6-5-7-11-19)25-27(30-22-13-9-8-12-21(22)29-25)33(26)20-15-17(2)14-18(3)16-20/h8-9,12-16,19H,4-7,10-11H2,1-3H3InChIKey
NCNARAWWTYAASN-UHFFFAOYSA-NSynonyms
3cyclohexyl11(35dimethylphenyl)2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3cyclohexyl11(35dimethylphenyl)2ethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=CC(=C5)C)C)C(=O)N1C6CCCCC6
InChI=1SC28H29N5Oc1423312624(28(34)32(23)19106571119)2527(302213981221(22)2925)33(26)201517(2)1418(3)1620h89121619H471011H213H3
MFCD02989890
ZINC000002251650
ZINC02251650
ZINC2251650
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