Vitas-M small molecule compound
2-ethyl-11-(4-fluorobenzyl)-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL239761
SMILES CCc1nc2n(Cc3ccc(cc3)F)c3c(c2c(=O)n1C(c1ccccc1)C)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 C29H24FN5O MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN5O/c1-3-24-33-27-25(29(36)35(24)18(2)20-9-5-4-6-10-20)26-28(32-23-12-8-7-11-22(23)31-26)34(27)17-19-13-15-21(30)16-14-19/h4-16,18H,3,17H2,1-2H3InChIKey
XKRZCCHGNFZKPT-UHFFFAOYSA-NSynonyms
799792-02-22ethyl11(4fluorobenzyl)3(1phenylethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
2ethyl11(4fluorobenzyl)3(1phenylethyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
799792022
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)F)C(=O)N1C(C)C6=CC=CC=C6
InChI=1SC29H24FN5Oc1324332725(29(36)35(24)18(2)2095461020)2628(322312871122(23)3126)34(27)1719131521(30)161419h41618H317H212H3
MFCD03676523
ZINC000002217992
ZINC000002217994
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