Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530804
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C)SCC(=O)c1ccc(cc1)Cl
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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 C27H23ClN4O3S2 MW 551.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3S2/c1-15-3-12-20-22(13-15)37-25-23(20)24(34)31(18-8-10-19(35-2)11-9-18)26-29-30-27(32(25)26)36-14-21(33)16-4-6-17(28)7-5-16/h4-11,15H,3,12-14H2,1-2H3InChIKey
FFIUPGYSUOYCQA-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)8methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)4(4methoxyphenyl)8methyl6789tetrahydrobenzo(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=C(C=C6)OC
InChI=1SC27H23ClN4O3S2c1153122022(1315)372523(20)24(34)31(1881019(352)11918)26293027(32(25)26)361421(33)164617(28)7516h41115H31214H212H3
MFCD02239824
ZINC000001786877
ZINC000001786879
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