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}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL477731
SMILES CCOC(=O)c1sc(nc1C)NC(=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 C28H27N5O6S2 MW 593.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O6S2/c1-3-38-26(37)23-16(2)29-27(41-23)30-20(34)15-40-28-32-31-21(39-28)13-5-4-6-14-33-24(35)18-11-7-9-17-10-8-12-19(22(17)18)25(33)36/h7-12H,3-6,13-15H2,1-2H3,(H,29,30,34)InChIKey
LAISYACJPCBADH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(O2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C
ethyl2((((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)sulfanyl)acetyl)amino)4methyl13thiazole5carboxylate
ETHYL2((2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC28H27N5O6S2c133826(37)2316(2)2927(4123)3020(34)154028323121(3928)13546143324(35)181179171081219(22(17)18)25(33)36h712H361315H212H3(H293034)
MFCD03650841
ZINC000100832715
ZINC100832715
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