Vitas-M small molecule compound
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179153
SMILES COc1ccccc1n1c(S)nc(=O)c2c1nc(cc2C(F)(F)F)c1ccc2c(c1)OCCO2
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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 C23H16F3N3O4S MW 487.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N3O4S/c1-31-16-5-3-2-4-15(16)29-20-19(21(30)28-22(29)34)13(23(24,25)26)11-14(27-20)12-6-7-17-18(10-12)33-9-8-32-17/h2-7,10-11H,8-9H2,1H3,(H,28,30,34)InChIKey
CKTADJNONRMVNB-UHFFFAOYSA-NSynonyms
1011384-76-11011384761
7(23dihydro14benzodioxin6yl)1(2methoxyphenyl)2sulfanyl5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
7(23dihydro14benzodioxin6yl)1(2methoxyphenyl)2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
COC1=CC=CC=C1N2C3=C(C(=CC(=N3)C4=CC5=C(C=C4)OCCO5)C(F)(F)F)C(=O)NC2=S
InChI=1SC23H16F3N3O4Sc13116532415(16)292019(21(30)2822(29)34)13(23(2425)26)1114(2720)12671718(1012)33983217h271011H89H21H3(H283034)
MFCD09472777
ZINC000020603287
ZINC20603287
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