Vitas-M small molecule compound
5-ethyl-3-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK436783
SMILES CCc1c(C)sc2c1c(=O)n(c(n2)S)c1c(C)nn(c1C)Cc1ccc(cc1)F
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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 C21H21FN4OS2 MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4OS2/c1-5-16-13(4)29-19-17(16)20(27)26(21(28)23-19)18-11(2)24-25(12(18)3)10-14-6-8-15(22)9-7-14/h6-9H,5,10H2,1-4H3,(H,23,28)InChIKey
KKFNTZCPKIOCJK-UHFFFAOYSA-NSynonyms
5ETHYL3(1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)6METHYL2SULFANYL3HYDROTHIOPHENO(23D)PYRIMIDIN4ONE
5ETHYL3(1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)6METHYL2SULFANYLIDENE1HTHIENO(23D)PYRIMIDIN4ONE
5ethyl3(1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)6methyl2sulfanylthieno(23d)pyrimidin4(3H)one
CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)C)C
InChI=1SC21H21FN4OS2c151613(4)291917(16)20(27)26(21(28)2319)1811(2)2425(12(18)3)10146815(22)9714h69H510H214H3(H2328)
MFCD03945174
ZINC000017096078
ZINC17096078
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