Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL236125
SMILES CCc1nc2n(Cc3ccc4c(c3)OCO4)c3c(c2c(=O)n1C1CCCCC1)nc1c(n3)cccc1
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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 C28H27N5O3 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3/c1-2-23-31-26-24(28(34)33(23)18-8-4-3-5-9-18)25-27(30-20-11-7-6-10-19(20)29-25)32(26)15-17-12-13-21-22(14-17)36-16-35-21/h6-7,10-14,18H,2-5,8-9,15-16H2,1H3InChIKey
HBYGPFNBNRDYNU-UHFFFAOYSA-NSynonyms
381174-32-911(13benzodioxol5ylmethyl)3cyclohexyl2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)3cyclohexyl2ethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
381174329
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C(=O)N1C7CCCCC7
InChI=1SC28H27N5O3c1223312624(28(34)33(23)188435918)2527(302011761019(20)2925)32(26)151712132122(1417)36163521h67101418H25891516H21H3
MFCD02992835
ZINC000002228968
ZINC02228968
ZINC2228968
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