Vitas-M small molecule compound
1-(butan-2-yl)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179344
SMILES CCC(n1c(S)nc(=O)c2c1nc(cc2C(F)(F)F)c1ccc2c(c1)OCCO2)C
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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 C20H18F3N3O3S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O3S/c1-3-10(2)26-17-16(18(27)25-19(26)30)12(20(21,22)23)9-13(24-17)11-4-5-14-15(8-11)29-7-6-28-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,25,27,30)InChIKey
LAEHGXNWOWRXEF-UHFFFAOYSA-NSynonyms
1(butan2yl)7(23dihydro14benzodioxin6yl)2sulfanyl5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
1butan2yl7(23dihydro14benzodioxin6yl)2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
CCC(C)N1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)C(=O)NC1=S
InChI=1SC20H18F3N3O3Sc1310(2)261716(18(27)2519(26)30)12(20(2122)23)913(2417)11451415(811)29762814h45810H367H212H3(H252730)
MFCD09472676
ZINC000020615229
ZINC000020615231
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