Vitas-M small molecule compound
4-{6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzoic acid
Catalog ID
STL400248
SMILES COc1cc(ccc1OC(F)F)c1cc(c2c(n1)n(nc2C)c1ccc(cc1)C(=O)O)C(F)(F)F
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H16F5N3O4 MW 493.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F5N3O4/c1-11-19-15(23(26,27)28)10-16(13-5-8-17(35-22(24)25)18(9-13)34-2)29-20(19)31(30-11)14-6-3-12(4-7-14)21(32)33/h3-10,22H,1-2H3,(H,32,33)InChIKey
MFEYGKPPURYLOZ-UHFFFAOYSA-NSynonyms
1011381-94-41011381944
4(6(4(difluoromethoxy)3methoxyphenyl)3methyl4(trifluoromethyl)1Hpyrazolo(34b)pyridin1yl)benzoicacid
4(6(4(difluoromethoxy)3methoxyphenyl)3methyl4(trifluoromethyl)pyrazolo(34b)pyridin1yl)benzoicacid
CC1=NN(C2=C1C(=CC(=N2)C3=CC(=C(C=C3)OC(F)F)OC)C(F)(F)F)C4=CC=C(C=C4)C(=O)O
InChI=1SC23H16F5N3O4c1111915(23(2627)28)1016(135817(3522(24)25)18(913)342)2920(19)31(3011)146312(4714)21(32)33h31022H12H3(H3233)
MFCD09472074
ZINC000020604415
ZINC20604415
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