Vitas-M small molecule compound
1-(butylsulfanyl)-4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK556841
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
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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 C22H23ClN4OS2 MW 459.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4OS2/c1-3-4-11-29-22-25-24-21-26(15-8-6-14(23)7-9-15)19(28)18-16-12-13(2)5-10-17(16)30-20(18)27(21)22/h6-9,13H,3-5,10-12H2,1-2H3InChIKey
SKJNBAQOARTDHB-UHFFFAOYSA-NSynonyms
573944-63-51(butylsulfanyl)4(4chlorophenyl)7methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)4(4chlorophenyl)7methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
573944635
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCC(C4)C)C(=O)N2C5=CC=C(C=C5)Cl
InChI=1SC22H23ClN4OS2c13411292225242126(158614(23)7915)19(28)18161213(2)51017(16)3020(18)27(21)22h6913H351012H212H3
MFCD04020832
ZINC000002233093
ZINC000002233094
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