Vitas-M small molecule compound
7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-ethyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179700
SMILES CCn1c(S)nc(=O)c2c1nc(cc2C(F)F)c1ccc2c(c1)OCO2
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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 C17H13F2N3O3S MW 377.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F2N3O3S/c1-2-22-15-13(16(23)21-17(22)26)9(14(18)19)6-10(20-15)8-3-4-11-12(5-8)25-7-24-11/h3-6,14H,2,7H2,1H3,(H,21,23,26)InChIKey
MAIKGLXSZILZNF-UHFFFAOYSA-NSynonyms
1011390-89-81011390898
7(13benzodioxol5yl)5(difluoromethyl)1ethyl2sulfanylidenepyrido(23d)pyrimidin4one
7(13benzodioxol5yl)5(difluoromethyl)1ethyl2sulfanylpyrido(23d)pyrimidin4(1H)one
CCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(F)F)C(=O)NC1=S
InChI=1SC17H13F2N3O3Sc12221513(16(23)2117(22)26)9(14(18)19)610(2015)8341112(58)2572411h3614H27H21H3(H212326)
MFCD09473173
ZINC000020605681
ZINC20605681
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