Vitas-M small molecule compound
ethyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK543573
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc2c1CCC2
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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 C31H30N4O6S2 MW 618.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O6S2/c1-2-40-30(39)26-19-11-8-14-22(19)43-27(26)32-23(36)17-42-31-34-33-24(41-31)15-4-3-5-16-35-28(37)20-12-6-9-18-10-7-13-21(25(18)20)29(35)38/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,32,36)InChIKey
FOLGVFVIZWVRCC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)CCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
ethyl2((((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ethyl2(2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)thio)acetamido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC31H30N4O6S2c124030(39)26191181422(19)4327(26)3223(36)174231343324(4131)15435163528(37)201269181071321(25(18)20)29(35)38h679101213H258111417H21H3(H3236)
MFCD03294977
ZINC000096022027
ZINC96022027
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