Vitas-M small molecule compound
8-tert-butyl-4-phenyl-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK804967
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C24H26N4OS2 MW 450.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4OS2/c1-5-13-30-23-26-25-22-27(16-9-7-6-8-10-16)20(29)19-17-12-11-15(24(2,3)4)14-18(17)31-21(19)28(22)23/h5-10,15H,1,11-14H2,2-4H3InChIKey
YOBAUEHZSBHTIX-UHFFFAOYSA-NSynonyms
372083-66-41(allylthio)8(tertbutyl)4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
372083664
8tertbutyl4phenyl1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)C5=CC=CC=C5
InChI=1SC24H26N4OS2c1513302326252227(1697681016)20(29)1917121115(24(23)4)1418(17)3121(19)28(22)23h51015H11114H224H3
MFCD01876296
ZINC000002271686
ZINC000002271687
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