Vitas-M small molecule compound
4-(4-methylphenyl)-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK698989
SMILES CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3
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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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-3-12-27-21-23-22-20-24(14-10-8-13(2)9-11-14)18(26)17-15-6-4-5-7-16(15)28-19(17)25(20)21/h8-11H,3-7,12H2,1-2H3InChIKey
HJRCDRVDOHTPKF-UHFFFAOYSA-NSynonyms
371954-18-61(propylthio)4(ptolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
371954186
4(4methylphenyl)1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C
InChI=1SC21H22N4OS2c1312272123222024(1410813(2)91114)18(26)1715645716(15)2819(17)25(20)21h811H3712H212H3
MFCD01875105
ZINC000002270761
ZINC02270761
ZINC2270761
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