Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-11-(9-ethyl-9H-carbazol-3-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL047986
SMILES CCc1nc2n(c3ccc4c(c3)c3ccccc3n4CC)c3c(c2c(=O)n1Cc1ccc2c(c1)OCO2)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 C36H28N6O3 MW 592.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28N6O3/c1-3-31-39-34-32(36(43)41(31)19-21-13-16-29-30(17-21)45-20-44-29)33-35(38-26-11-7-6-10-25(26)37-33)42(34)22-14-15-28-24(18-22)23-9-5-8-12-27(23)40(28)4-2/h5-18H,3-4,19-20H2,1-2H3InChIKey
OQNARRNLNVDNJN-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2ethyl11(9ethyl9Hcarbazol3yl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)2ethyl11(9ethyl9Hcarbazol3yl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)N(C7=CC=CC=C76)CC)C(=O)N1CC8=CC9=C(C=C8)OCO9
InChI=1SC36H28N6O3c1331393432(36(43)41(31)192113162930(1721)45204429)3335(382611761025(26)3733)42(34)2214152824(1822)239581227(23)40(28)42h518H341920H212H3
MFCD02998042
ZINC000102883650
ZINC102883650
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