Vitas-M small molecule compound
1-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL135081
SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCc1nnc2n1c1ccsc1c(=O)n2C
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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 C22H23FN6O2S MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN6O2S/c1-26-21(31)20-17(9-14-32-20)29-18(24-25-22(26)29)3-2-4-19(30)28-12-10-27(11-13-28)16-7-5-15(23)6-8-16/h5-9,14H,2-4,10-13H2,1H3InChIKey
LLCAEASAIJTVCW-UHFFFAOYSA-NSynonyms
1(4(4(4fluorophenyl)piperazin1yl)4oxobutyl)4methylthieno(23e)(124)triazolo(43a)pyrimidin5(4H)one
CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F
InChI=1SC22H23FN6O2Sc12621(31)2017(9143220)2918(242522(26)29)32419(30)28121027(111328)167515(23)6816h5914H241013H21H3
MFCD06743804
ZINC000009118922
ZINC09118922
ZINC9118922
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Check stock on Vitas-MAvailable files
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