Vitas-M small molecule compound
9-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK789926
SMILES COc1ccc(cc1OC)C1C2=C(CC(CC2=O)C)Nc2n1nc(n2)C(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 C19H19F3N4O3 MW 408.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4O3/c1-9-6-11-15(12(27)7-9)16(10-4-5-13(28-2)14(8-10)29-3)26-18(23-11)24-17(25-26)19(20,21)22/h4-5,8-9,16H,6-7H2,1-3H3,(H,23,24,25)InChIKey
SMSXCNSRDBBQBP-UHFFFAOYSA-NSynonyms
9(34dimethoxyphenyl)6methyl2(trifluoromethyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(34dimethoxyphenyl)6methyl2(trifluoromethyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CC1CC2=C(C(N3C(=N2)N=C(N3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC)C(=O)C1
InChI=1SC19H19F3N4O3c1961115(12(27)79)16(104513(282)14(810)293)2618(2311)2417(2526)19(2021)22h458916H67H213H3(H232425)
MFCD08088815
ZINC000012417610
ZINC000012417615
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