Vitas-M small molecule compound
5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazole-3-thiolate
Catalog ID
STL012057
SMILES [S-]c1nnc(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 C23H17N4O2S MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2S/c28-21-17-11-4-7-15-8-5-12-18(20(15)17)22(29)26(21)14-6-13-19-24-25-23(30)27(19)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2,(H,25,30)/p-1InChIKey
PNZRJHIHYPOQGV-UHFFFAOYSA-MSynonyms
(S)c1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazole3thiolate
5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOLE3THIOLATE
C1=CC=C(C=C1)N2C(=NN=C2(S))CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC23H18N4O2Sc282117114715851218(20(15)17)22(29)26(21)1461319242523(30)27(19)1692131016h15712H61314H2(H2530)p1
ZINC04059167
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