Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-11-(3-fluorophenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL235807
SMILES Fc1cccc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2
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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 C27H18FN5O3 MW 479.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN5O3/c1-15-29-25-23(27(34)32(15)13-16-9-10-21-22(11-16)36-14-35-21)24-26(31-20-8-3-2-7-19(20)30-24)33(25)18-6-4-5-17(28)12-18/h2-12H,13-14H2,1H3InChIKey
AAKFPPQJMGPDMD-UHFFFAOYSA-NSynonyms
380589-17-33(13benzodioxol5ylmethyl)11(3fluorophenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(3fluorophenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
380589173
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=CC=C5)F)C(=O)N1CC6=CC7=C(C=C6)OCO7
InChI=1SC27H18FN5O3c115292523(27(34)32(15)13169102122(1116)36143521)2426(3120832719(20)3024)33(25)1864517(28)1218h212H1314H21H3
MFCD02990785
ZINC000009158331
ZINC09158331
ZINC9158331
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