Vitas-M small molecule compound
1-(butan-2-yl)-5-(difluoromethyl)-7-(4-ethylphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179258
SMILES CCc1ccc(cc1)c1cc(C(F)F)c2c(n1)n(C(CC)C)c(nc2=O)S
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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 C20H21F2N3OS MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F2N3OS/c1-4-11(3)25-18-16(19(26)24-20(25)27)14(17(21)22)10-15(23-18)13-8-6-12(5-2)7-9-13/h6-11,17H,4-5H2,1-3H3,(H,24,26,27)InChIKey
AJOUSKZEQQZIOV-UHFFFAOYSA-NSynonyms
1011385-36-61(butan2yl)5(difluoromethyl)7(4ethylphenyl)2sulfanylpyrido(23d)pyrimidin4(1H)one
1011385366
1butan2yl5(difluoromethyl)7(4ethylphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
CCC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)F)C(=O)NC(=S)N3C(C)CC
InChI=1SC20H21F2N3OSc1411(3)251816(19(26)2420(25)27)14(17(21)22)1015(2318)138612(52)7913h61117H45H213H3(H242627)
MFCD09472838
ZINC000020603611
ZINC000020603613
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