Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK699006
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1
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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 C25H22N4O2S2 MW 474.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S2/c1-31-18-13-11-17(12-14-18)28-22(30)21-19-9-5-6-10-20(19)33-23(21)29-24(28)26-27-25(29)32-15-16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3InChIKey
QXVHUKYDWBNSHA-UHFFFAOYSA-NSynonyms
354992-44-21(benzylsulfanyl)4(4methoxyphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)4(4methoxyphenyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
354992442
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=CC=C5)SC6=C3CCCC6
InChI=1SC25H22N4O2S2c13118131117(121418)2822(30)21199561020(19)3323(21)2924(28)262725(29)3215167324816h24781114H5691015H21H3
MFCD01875530
ZINC000002271083
ZINC02271083
ZINC2271083
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