Vitas-M small molecule compound

6-methyl-4-(4-methylphenyl)-1-(methylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK531925
SMILES CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)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 C20H20N4OS2 MW 396.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4OS2/c1-11-7-9-13(10-8-11)23-17(25)16-15-12(2)5-4-6-14(15)27-18(16)24-19(23)21-22-20(24)26-3/h7-10,12H,4-6H2,1-3H3
InChIKey
ZNPAJPUULYQYQI-UHFFFAOYSA-N
Synonyms

6methyl1(methylthio)4(ptolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
6methyl4(4methylphenyl)1(methylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SC)N(C3=O)C5=CC=C(C=C5)C
InChI=1SC20H20N4OS2c1117913(10811)2317(25)161512(2)54614(15)2718(16)2419(23)212220(24)263h71012H46H213H3
MFCD02988946
ZINC000002228561
ZINC000002228562

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Available files

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