Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720940
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)c1ccccc1
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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 C26H21ClN4O2S2 MW 521.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O2S2/c1-15-7-12-19-21(13-15)35-24-22(19)23(33)30(18-5-3-2-4-6-18)25-28-29-26(31(24)25)34-14-20(32)16-8-10-17(27)11-9-16/h2-6,8-11,15H,7,12-14H2,1H3InChIKey
KNFUDIFGPHSFDF-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)8methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)8methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC26H21ClN4O2S2c1157121921(1315)352422(19)23(33)30(185324618)25282926(31(24)25)341420(32)1681017(27)11916h2681115H71214H21H3
MFCD02235399
ZINC000001834327
ZINC000001834328
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