Vitas-M small molecule compound
5-(difluoromethyl)-7-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-methoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL391651
SMILES COc1ccccc1n1c(S)nc(=O)c2c1nc(cc2C(F)F)c1cn(nc1C)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 C20H17F2N5O2S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F2N5O2S/c1-10-12(9-26(2)25-10)13-8-11(17(21)22)16-18(23-13)27(20(30)24-19(16)28)14-6-4-5-7-15(14)29-3/h4-9,17H,1-3H3,(H,24,28,30)InChIKey
JQPCENBQUCUKID-UHFFFAOYSA-NSynonyms
1174886-41-91174886419
5(difluoromethyl)7(13dimethyl1Hpyrazol4yl)1(2methoxyphenyl)2sulfanylpyrido(23d)pyrimidin4(1H)one
5(difluoromethyl)7(13dimethylpyrazol4yl)1(2methoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
CC1=NN(C=C1C2=NC3=C(C(=C2)C(F)F)C(=O)NC(=S)N3C4=CC=CC=C4OC)C
InChI=1SC20H17F2N5O2Sc11012(926(2)2510)13811(17(21)22)1618(2313)27(20(30)2419(16)28)14645715(14)293h4917H13H3(H242830)
MFCD09472755
ZINC000020605205
ZINC20605205
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