Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK552992
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3
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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 C27H23BrN4O2S2 MW 579.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O2S2/c28-19-12-10-18(11-13-19)21(33)16-35-27-30-29-26-31(15-14-17-6-2-1-3-7-17)24(34)23-20-8-4-5-9-22(20)36-25(23)32(26)27/h1-3,6-7,10-13H,4-5,8-9,14-16H2InChIKey
KGQDJJSHIQGOIR-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(2phenylethyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)4phenethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=C(C=C5)Br)N(C3=O)CCC6=CC=CC=C6
InChI=1SC27H23BrN4O2S2c2819121018(111319)21(33)16352730292631(1514176213717)24(34)2320845922(20)3625(23)32(26)27h13671013H45891416H2
MFCD03694398
ZINC000002591428
ZINC2591428
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