Vitas-M small molecule compound
methyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK543179
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C29H26N4O6S MW 558.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O6S/c1-38-28(37)19-11-4-5-14-22(19)30-23(34)17-40-29-32-31-24(39-29)15-3-2-6-16-33-26(35)20-12-7-9-18-10-8-13-21(25(18)20)27(33)36/h4-5,7-14H,2-3,6,15-17H2,1H3,(H,30,34)InChIKey
KHBSMZKIUMJAOA-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC29H26N4O6Sc13828(37)1911451422(19)3023(34)174029323124(3929)15326163326(35)201279181081321(25(18)20)27(33)36h45714H2361517H21H3(H3034)
methyl2((((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)thio)acetamido)benzoate
MFCD03269008
ZINC000008433196
ZINC08433196
ZINC8433196
Check stock
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