Vitas-M small molecule compound
1-(butylsulfanyl)-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530488
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3
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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 C22H24N4OS2 MW 424.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS2/c1-3-4-13-28-22-24-23-21-25(15-10-6-5-7-11-15)19(27)18-17-14(2)9-8-12-16(17)29-20(18)26(21)22/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3InChIKey
IOIMZZLTAABFOM-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)6methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)6methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4C)C(=O)N2C5=CC=CC=C5
InChI=1SC22H24N4OS2c13413282224232125(15106571115)19(27)181714(2)981216(17)2920(18)26(21)22h57101114H34891213H212H3
MFCD02237198
ZINC000001823034
ZINC000001823035
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