Vitas-M small molecule compound
methyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL079784
SMILES COC(=O)CSc1nnc(n1c1ccccc1)CCCn1c(=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/c1-34-22(31)16-35-26-28-27-21(30(26)18-10-3-2-4-11-18)14-7-15-29-24(32)19-12-5-8-17-9-6-13-20(23(17)19)25(29)33/h2-6,8-13H,7,14-16H2,1H3InChIKey
IENOHLQQPLOBPJ-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC26H22N4O4Sc13422(31)163526282721(30(26)18103241118)147152924(32)19125817961320(23(17)19)25(29)33h26813H71416H21H3
methyl((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)acetate
methyl2((5(3(13dioxobenzo(de)isoquinolin2yl)propyl)4phenyl124triazol3yl)sulfanyl)acetate
MFCD18200607
ZINC000064864646
ZINC64864646
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