Vitas-M small molecule compound
4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl}oxy)benzonitrile
Catalog ID
STL174271
SMILES N#Cc1ccc(cc1)OCc1cccc(c1)c1nn2c(n1)c1sc3c(c1nc2)c(C)cc(n3)C(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 C26H16F2N6OS MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16F2N6OS/c1-14-9-19(23(27)28)31-26-20(14)21-22(36-26)25-32-24(33-34(25)13-30-21)17-4-2-3-16(10-17)12-35-18-7-5-15(11-29)6-8-18/h2-10,13,23H,12H2,1H3InChIKey
VHSNAXPUNYMJQO-UHFFFAOYSA-NSynonyms
881474-92-64((3(9(difluoromethyl)7methylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidin2yl)benzyl)oxy)benzonitrile
881474926
CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)C5=CC(=CC=C5)COC6=CC=C(C=C6)C#N)C(F)F
InChI=1SC26H16F2N6OSc114919(23(27)28)312620(14)2122(3626)253224(3334(25)133021)1742316(1017)1235187515(1129)6818h2101323H12H21H3
MFCD08553992
ZINC000013644026
ZINC13644026
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