Vitas-M small molecule compound
4-(4-methoxyphenyl)-8-methyl-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
STK722730
SMILES CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCC(C3)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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-11-4-9-14-15(10-11)28-18-16(14)17(25)23(12-5-7-13(26-2)8-6-12)19-21-22-20(27-3)24(18)19/h5-8,11H,4,9-10H2,1-3H3InChIKey
QPWAWFQTQBNMIF-UHFFFAOYSA-NSynonyms
4(4methoxyphenyl)8methyl1(methylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4methoxyphenyl)8methyl1(methylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SC)C5=CC=C(C=C5)OC
InChI=1SC20H20N4O2S2c111491415(1011)281816(14)17(25)23(125713(262)8612)19212220(273)24(18)19h5811H4910H213H3
MFCD02237357
ZINC000000985793
ZINC000000985794
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