Vitas-M small molecule compound
ethyl ({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL012059
SMILES CCOC(=O)CSc1nnc(n1c1ccccc1)CCn1c(=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 C26H22N4O4S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S/c1-2-34-22(31)16-35-26-28-27-21(30(26)18-10-4-3-5-11-18)14-15-29-24(32)19-12-6-8-17-9-7-13-20(23(17)19)25(29)33/h3-13H,2,14-16H2,1H3InChIKey
FJMKDXVJSJFXDV-UHFFFAOYSA-NSynonyms
325693-53-6325693536
CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
ethyl((5(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)4phenyl4H124triazol3yl)sulfanyl)acetate
ethyl2((5(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)4phenyl4H124triazol3yl)thio)acetate
ETHYL2((5(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC26H22N4O4Sc123422(31)163526282721(30(26)18104351118)14152924(32)19126817971320(23(17)19)25(29)33h313H21416H21H3
MFCD01944742
ZINC000008431578
ZINC08431578
ZINC8431578
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