Vitas-M small molecule compound
8-tert-butyl-4-methyl-1-(pentylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530071
SMILES CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CCC(C3)C(C)(C)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 C21H30N4OS2 MW 418.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4OS2/c1-6-7-8-11-27-20-23-22-19-24(5)17(26)16-14-10-9-13(21(2,3)4)12-15(14)28-18(16)25(19)20/h13H,6-12H2,1-5H3InChIKey
YTUZUWRJCYAXSQ-UHFFFAOYSA-NSynonyms
8(tertbutyl)4methyl1(pentylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8tertbutyl4methyl1(pentylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCCSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2C
InChI=1SC21H30N4OS2c167811272023221924(5)17(26)161410913(21(23)4)1215(14)2818(16)25(19)20h13H612H215H3
MFCD02233595
ZINC000001764063
ZINC000001764064
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