Vitas-M small molecule compound
2-[(2,6-dimethylphenoxy)methyl]-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK593913
SMILES O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)COc1c(C)cccc1C
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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 C25H22N4O4 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4/c1-14-6-3-7-15(2)23(14)32-12-19-27-24-22-21(17-10-5-11-31-17)20-16(30)8-4-9-18(20)33-25(22)26-13-29(24)28-19/h3,5-7,10-11,13,21H,4,8-9,12H2,1-2H3InChIKey
LJCZCTHYBGQRIP-UHFFFAOYSA-NSynonyms
902302-78-72((26dimethylphenoxy)methyl)12(furan2yl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((26dimethylphenoxy)methyl)12(furan2yl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
902302787
CC1=C(C(=CC=C1)C)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CCCC5=O)C6=CC=CO6
InChI=1SC25H22N4O4c11463715(2)23(14)32121927242221(17105113117)2016(30)84918(20)3325(22)261329(24)2819h35710111321H48912H212H3
MFCD06792421
ZINC000009429516
ZINC000009429519
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