Vitas-M small molecule compound

3-hexyl-2-methyl-11-[4-(trifluoromethoxy)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK714356
SMILES CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)OC(F)(F)F

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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 C26H24F3N5O2 MW 495.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F3N5O2/c1-3-4-5-8-15-33-16(2)30-23-21(25(33)35)22-24(32-20-10-7-6-9-19(20)31-22)34(23)17-11-13-18(14-12-17)36-26(27,28)29/h6-7,9-14H,3-5,8,15H2,1-2H3
InChIKey
ACEKFZFNWZNCEL-UHFFFAOYSA-N
Synonyms
848062-51-1
3hexyl2methyl11(4(trifluoromethoxy)phenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3hexyl2methyl11(4(trifluoromethoxy)phenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
848062511
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OC(F)(F)F)C
InChI=1SC26H24F3N5O2c13458153316(2)302321(25(33)35)2224(32201076919(20)3122)34(23)17111318(141217)3626(2728)29h67914H35815H212H3
MFCD04187150
ZINC000002421606
ZINC02421606
ZINC2421606

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Available files

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