Vitas-M small molecule compound
3,3'-[(1-methyl-1H-pyrazol-4-yl)methanediyl]bis[7-(difluoromethyl)-4-hydroxy-9-methylthieno[2,3-b:4,5-b']dipyridin-2(1H)-one]
Catalog ID
STK305444
SMILES Cn1ncc(c1)C(c1c(=O)[nH]c2c(c1O)sc1c2c(C)cc(n1)C(F)F)c1c(=O)[nH]c2c(c1O)sc1c2c(C)cc(n1)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 C29H20F4N6O4S2 MW 656.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20F4N6O4S2/c1-8-4-11(24(30)31)35-28-13(8)18-22(44-28)20(40)16(26(42)37-18)15(10-6-34-39(3)7-10)17-21(41)23-19(38-27(17)43)14-9(2)5-12(25(32)33)36-29(14)45-23/h4-7,15,24-25H,1-3H3,(H2,37,40,42)(H2,38,41,43)InChIKey
VKAHYMUTPXISRM-UHFFFAOYSA-NSynonyms
1005662-76-91005662769
33((1methyl1Hpyrazol4yl)methanediyl)bis(7(difluoromethyl)4hydroxy9methylthieno(23b45b)dipyridin2(1H)one)
CC1=CC(=NC2=C1C3=C(S2)C(=C(C(=O)N3)C(C4=CN(N=C4)C)C5=C(C6=C(C7=C(S6)N=C(C=C7C)C(F)F)NC5=O)O)O)C(F)F
Cn1ncc(c1)C(c1c(=O)(nH)c2c(c1O)sc1c2c(C)cc(n1)C(F)F)c1c(=O)(nH)c2c(c1O)sc1c2c(C)cc(n1)C(F)F
InChI=1SC29H20F4N6O4S2c18411(24(30)31)352813(8)1822(4428)20(40)16(26(42)3718)15(1063439(3)710)1721(41)2319(3827(17)43)149(2)512(25(32)33)3629(14)4523h47152425H13H3(H2374042)(H2384143)
MFCD04050682
ZINC000097949174
ZINC97949174
Check stock
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Check stock on Vitas-MAvailable files
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