Vitas-M small molecule compound
5-(difluoromethyl)-7-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL394546
SMILES CCOc1ccccc1n1c(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 C21H19F2N5O2S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5O2S/c1-4-30-16-8-6-5-7-15(16)28-19-17(20(29)25-21(28)31)12(18(22)23)9-14(24-19)13-10-27(3)26-11(13)2/h5-10,18H,4H2,1-3H3,(H,25,29,31)InChIKey
CDBLFWXPWCDISJ-UHFFFAOYSA-NSynonyms
1174866-83-11174866831
5(DIFLUOROMETHYL)7(13DIMETHYL1HPYRAZOL4YL)1(2ETHOXYPHENYL)2SULFANYLPYRIDO(23D)PYRIMIDIN4(1H)ONE
5(difluoromethyl)7(13dimethylpyrazol4yl)1(2ethoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
CCOC1=CC=CC=C1N2C3=C(C(=CC(=N3)C4=CN(N=C4C)C)C(F)F)C(=O)NC2=S
InChI=1SC21H19F2N5O2Sc143016865715(16)281917(20(29)2521(28)31)12(18(22)23)914(2419)131027(3)2611(13)2h51018H4H213H3(H252931)
MFCD09472875
ZINC000020604222
ZINC20604222
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