Vitas-M small molecule compound
1-cyclopentyl-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179417
SMILES COc1cc(ccc1OC)c1cc(C(F)F)c2c(n1)n(C1CCCC1)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 C21H21F2N3O3S MW 433.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N3O3S/c1-28-15-8-7-11(9-16(15)29-2)14-10-13(18(22)23)17-19(24-14)26(12-5-3-4-6-12)21(30)25-20(17)27/h7-10,12,18H,3-6H2,1-2H3,(H,25,27,30)InChIKey
ZSXKKOLPKFFZQW-UHFFFAOYSA-NSynonyms
1011385-55-91011385559
1cyclopentyl5(difluoromethyl)7(34dimethoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
1cyclopentyl5(difluoromethyl)7(34dimethoxyphenyl)2sulfanylpyrido(23d)pyrimidin4(1H)one
COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(F)F)C(=O)NC(=S)N3C4CCCC4)OC
InChI=1SC21H21F2N3O3Sc128158711(916(15)292)141013(18(22)23)1719(2414)26(12534612)21(30)2520(17)27h7101218H36H212H3(H252730)
MFCD09472846
ZINC000020615442
ZINC20615442
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