Vitas-M small molecule compound
4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL135884
SMILES O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)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 C23H23F3N6O2S MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23F3N6O2S/c1-29-21(34)20-17(8-13-35-20)32-18(27-28-22(29)32)6-3-7-19(33)31-11-9-30(10-12-31)16-5-2-4-15(14-16)23(24,25)26/h2,4-5,8,13-14H,3,6-7,9-12H2,1H3InChIKey
ROJIDWDRRGAKJT-UHFFFAOYSA-NSynonyms
4methyl1(4oxo4(4(3(trifluoromethyl)phenyl)piperazin1yl)butyl)thieno(23e)(124)triazolo(43a)pyrimidin5(4H)one
CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC23H23F3N6O2Sc12921(34)2017(8133520)3218(272822(29)32)63719(33)3111930(101231)1652415(1416)23(2425)26h24581314H367912H21H3
MFCD14726612
ZINC000020131815
ZINC20131815
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